[gmx-users] installation error under openSuse 12.2

> Date: Mon, 11 Nov 2013 08:27:05 -0800 (PST) > From: kolnkempff > Subject: [gmx-users] installation error under openSuse 12.2 > To: gmx-users@gromacs.org > Message-ID: <1384187225465-5012430.p...@n6.nabble.com> > Content-Type: text/plain; charset=us-ascii > > Dear

Re: [gmx-users] installation error under openSuse 12.2

On 11/11/13 11:27 AM, kolnkempff wrote: Dear gmx-users, I am trying to install gromacs-4.6.3 on an older Dell that is running openSuse 12.2 Using "DGMX_BUILD_OWN_FFTW=ON" failed for me so to get through cmake I had to compile fftw from scratch and I followed the recommendation of going direct

[gmx-users] installation error under openSuse 12.2

Dear gmx-users, I am trying to install gromacs-4.6.3 on an older Dell that is running openSuse 12.2 Using "DGMX_BUILD_OWN_FFTW=ON" failed for me so to get through cmake I had to compile fftw from scratch and I followed the recommendation of going directly to their website. Now I am at the make s

Re: [gmx-users] Installation of gromacs 4.5.4 on windows using cygwin

Looks like you are compiling 4.5.1. You should try compiling the latest version in the 4.5 series, 4.5.7. -- Szilárd On Sun, Sep 15, 2013 at 6:39 PM, Muthukumaran R wrote: > hello, > > I am trying to install gromacs in cygwin but after issuing "make", > installation stops with the following erro

[gmx-users] Installation of gromacs 4.5.4 on windows using cygwin

hello, I am trying to install gromacs in cygwin but after issuing "make", installation stops with the following error Makefile:1315: recipe for target `gmx_tune_pme.lo' failed make[3]: *** [gmx_tune_pme.lo] Error 1 make[3]: Leaving directory `/usr/local/gromacs-4.5.1/src/tools' Makefile:301: reci

Re: [gmx-users] Installation on Ubuntu 12.04LTS

autocomplete). > > I am still trying to fix the issues with the intel compiler. The gcc > compiled version benchmark at 52ns/day with the lysozyme in water tutorial. icc 12 and 13 should just work with CUDA 5.0. Cheers, -- Szilárd > > Thanks again. > >

Re: [gmx-users] Installation on Ubuntu 12.04LTS

From: Szilárd Páll To: Mare Libero ; Discussion list for GROMACS users Sent: Thursday, June 27, 2013 10:47 AM Subject: Re: [gmx-users] Installation on Ubuntu 12.04LTS On Thu, Jun 27, 2013 at 12:57 PM, Mare Libero wrote: > Hello everybody, > > Does anyone have any recommendation regard

Re: [gmx-users] Installation on Ubuntu 12.04LTS

On Thu, Jun 27, 2013 at 12:57 PM, Mare Libero wrote: > Hello everybody, > > Does anyone have any recommendation regarding the installation of gromacs 4.6 > on Ubuntu 12.04? I have the nvidia-cuda-toolkit that comes in synaptic > (4.0.17-3ubuntu0.1 installed in /usr/lib/nvidia-cuda-toolkit) and t

Re: [gmx-users] Installation on Ubuntu 12.04LTS

On Thu, Jun 27, 2013 at 12:57 PM, Mare Libero wrote: > Hello everybody, > > Does anyone have any recommendation regarding the installation of gromacs 4.6 > on Ubuntu 12.04? I have the nvidia-cuda-toolkit that comes in synaptic > (4.0.17-3ubuntu0.1 installed in /usr/lib/nvidia-cuda-toolkit) and t

[gmx-users] Installation on Ubuntu 12.04LTS

Hello everybody, Does anyone have any recommendation regarding the installation of gromacs 4.6 on Ubuntu 12.04? I have the nvidia-cuda-toolkit that comes in synaptic (4.0.17-3ubuntu0.1 installed in /usr/lib/nvidia-cuda-toolkit) and the drivers 304.88. Apparently, this is not compatible with gcc

Re: [gmx-users] installation Gromacs-Fedora18

many thanks to you all, I did installation as root it works well I like gromacs users discussion. It is very useful :) On 3 May 2013 19:10, Francesco wrote: > this is what I do to install gromacs 4.5.5 on fedora 18 > > fftw libraries > > cd fftw-3.3.3_folder > ./configure --enable-threads --ena

Re: [gmx-users] installation Gromacs-Fedora18

this is what I do to install gromacs 4.5.5 on fedora 18 fftw libraries cd fftw-3.3.3_folder ./configure --enable-threads --enable-shared --enable-float --prefix=/usr/local/fftw make make install make clean in this way I install single precision (--enable-float) fftw libraries in /usr/local/fftw

Re: [gmx-users] installation Gromacs-Fedora18

On 5/3/13 5:39 AM, Souilem Safa wrote: Dear Gromacs users, I m aiming to install gromacs 4.5.5 package in in linux Fedora 18. I have updated the needed compilers and downloaded the fftw-3.3.2.tar.gz and gromacs4.5.5.tar.gz I have followed these commands to install: $ tar -zxvf fftw-3.3.2/ $ cd

[gmx-users] installation Gromacs-Fedora18

Dear Gromacs users, I m aiming to install gromacs 4.5.5 package in in linux Fedora 18. I have updated the needed compilers and downloaded the fftw-3.3.2.tar.gz and gromacs4.5.5.tar.gz I have followed these commands to install: $ tar -zxvf fftw-3.3.2/ $ cd fftw-3.3.2/ $ ./configure --prefix /home/s

Re: [gmx-users] Installation Problems with Gromacs4.6

On Fri, Mar 1, 2013 at 7:29 PM, Abhishek Acharya wrote: > Hello Gromacs Users. > I have been trying to install Gromacs4.6 on our HPC facility. I think I > have correctly provided all the necessary mpi and fftw library paths. OK, but you'll make trouble-shooting easier if you tell us what you've

[gmx-users] Installation Problems with Gromacs4.6

Hello Gromacs Users. I have been trying to install Gromacs4.6 on our HPC facility. I think I have correctly provided all the necessary mpi and fftw library paths. But when i try to run configure it gives me the following error: CMake Error at cmake/FindFFTW.cmake:105 (message): Could not find

Re: [gmx-users] installation

Thanks Justin, I'm gonna take your advice. On Thu, Feb 14, 2013 at 11:43 AM, Justin Lemkul wrote: > > > On 2/14/13 9:40 AM, David Sáez wrote: > >> Erik, thanks for your answer. I typed "which mdrun" and I got this output: >> >> *~$ which mdrun* >> */usr/local/gromacs/bin/mdrun* >> >> >> Then, I

Re: [gmx-users] installation

On 2/14/13 9:40 AM, David Sáez wrote: Erik, thanks for your answer. I typed "which mdrun" and I got this output: *~$ which mdrun* */usr/local/gromacs/bin/mdrun* Then, I typed just "mdrun" and I got this: *~$ mdrun* * * * :-) G R O M A C S (-:* * * *

Re: [gmx-users] installation

Erik, thanks for your answer. I typed "which mdrun" and I got this output: *~$ which mdrun* */usr/local/gromacs/bin/mdrun* Then, I typed just "mdrun" and I got this: *~$ mdrun* * * * :-) G R O M A C S (-:* * * * Green Red Orange Magenta Azure Cyan

Re: [gmx-users] installation

It shouldn't generate output. It will make your system find your gromacs installation, however. Try e.g. "which mdrun". Erik On Feb 13, 2013, at 5:06 AM, David Sáez wrote: Thanks for your answer Justin. I followed your advice: When I type *$ source /usr/local/gromacs/bin/GMXRC* *$* Nothing

Re: [gmx-users] installation

Thanks for your answer Justin. I followed your advice: When I type *$ source /usr/local/gromacs/bin/GMXRC* *$* Nothing happened, the prompt returns normally and no action is executed. Do you have any idea? On Tue, Feb 12, 2013 at 11:27 PM, Justin Lemkul wrote: > > > On 2/12/13 9:24 PM, David S

Re: [gmx-users] installation

On 2/12/13 9:24 PM, David Sáez wrote: Hello everybody, I'm trying to install Gromacs 4.6 in my Ubuntu 12.04 laptop. As I am not a a skilled user, I tried the Quick and Dirty Installation, After following the instructions I obtained this message when trying to execute GMXRC: david@HAL-9000:~$ /

[gmx-users] installation

Hello everybody, I'm trying to install Gromacs 4.6 in my Ubuntu 12.04 laptop. As I am not a a skilled user, I tried the Quick and Dirty Installation, After following the instructions I obtained this message when trying to execute GMXRC: david@HAL-9000:~$ /usr/local/gromacs/bin/GMXRC /usr/local/gro

Re: [gmx-users] Installation Error

See http://www.gromacs.org/Documentation/Installation_Instructions_4.5#Details_for_building_the_FFTW_prerequisite On Fri, Dec 7, 2012 at 9:08 AM, BHARATI DUTTA wrote: > > Hi Justin, > > I am trying to install gromacs-4.5.5 on a Linux work station (x86_64) but > I am getting an error. The error me

[gmx-users] Installation Error

Hi Justin, I am trying to install gromacs-4.5.5 on a Linux work station (x86_64) but I am getting an error. The error message is attached in the mail in a text file "Installation_error.txt". I have installed fftw-3.3.3 in my system. I have checked threads on the mailing list which have reporte

Re: [gmx-users] Installation problems with MacOS 10.7.5

You need to name libraries with FFTW3F_LIBRARIES, not the library path. That explains the dropped dependency and subsequent problems. Mark On Mon, Nov 26, 2012 at 4:19 PM, Stefan Jasconek < stjas...@students.uni-mainz.de> wrote: > Dear Users, > I have problems with the installation of GROMACS 4.

[gmx-users] Installation problems with MacOS 10.7.5

Dear Users, I have problems with the installation of GROMACS 4.5.5 on MacOS 10.7.5. GCC version 4.2.1 FFTW is: FFTW-3.3.2. The CMAke command cmake -DGMX_THREAD_MPI=OFF \ -DFFTW3F_INCLUDE_DIR=$FFTWDIR/include \ -DFFTW3F_LIBRARIES=$FFTWDIR/lib \ -DGMX

Re: [gmx-users] Installation in a SGI Cluster

Check to see if the MPICC and MPI_HOME environment variables are set correctly to configure (it can't find mpicc). On 2012-09-25 12:06:14PM -0300, Diego Nolasco wrote: > Hello GROMACS users, > > I am facing some problems to configure the gromacs installation in a x86_64 > GNU/Linux SGI Cluster X

Re: Fw: [gmx-users] Installation of GROMACS on server

*From:* Anirban *To:* Shima Arasteh ; Discussion list for GROMACS users *Sent:* Tuesday, May 22, 2012 1:33 PM *Subject:* Re: [gmx-users] Installation of GROMACS on server On Tue, May 22, 2012 at 2:17 PM, Shima Arasteh mailto:shima_arasteh2...@yahoo.com>> wrote: De

Fw: [gmx-users] Installation of GROMACS on server

Would you guide me to a link which may help me? Thanks so much.   Sincerely, Shima From: Anirban To: Shima Arasteh ; Discussion list for GROMACS users Sent: Tuesday, May 22, 2012 1:33 PM Subject: Re: [gmx-users] Installation of GROMACS on server On

Re: [gmx-users] Installation of GROMACS on server

On Tue, May 22, 2012 at 2:17 PM, Shima Arasteh wrote: > > Dear gmx users, > If I am not admin of the server, would it be possible that I install the > GROMACS 4.5.5 in my account (user) or upgrade the GROMACS version? > You can install latest version of GROMACS in your local directory by giving

Re: [gmx-users] Installation of GROMACS on server

Yes, it could be possible. You have to install it on your local folder where you have the right permissions. This is specified with the --prefix option on the configure script (if using automake/automake installation) or the corresponding option with cmake (I don't know wich one is it, check th

[gmx-users] Installation of GROMACS on server

 Dear gmx users, If I am not admin of the server, would it be possible that I install the GROMACS 4.5.5 in my account (user) or upgrade the GROMACS version? Thanks for your suggestions in advance. Sincerely, Shima-- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mail

Re: [gmx-users] installation issues

On 17/04/2012 11:12 PM, anupam sinha wrote: Dear All, I have tried installing gromacs (after installing fftw3 library)on a GPU system using the following : ./configure --with-fft=fftw3 --enable-float After I type "make" I get the following error after sometime. . . . /usr/bin/

[gmx-users] installation issues

Dear All, I have tried installing gromacs (after installing fftw3 library)on a GPU system using the following : ./configure --with-fft=fftw3 --enable-float After I type "make" I get the following error after sometime. . . . /usr/bin/ld: /home/anupam/fftw-3.3.1/.libs/libfftw3f.a(api

Re: [gmx-users] installation problem of gromacs 4.0.7 on Rocks cluster

On 13/02/2012 9:56 PM, Parul tew wrote: Dear Gmx Users, I am facing problem while installing gromacs 4.0.7 on the rocks cluster 1. command: ./configure --enable-float --enable-threads --enable-sse --enable-mpi If you were using an up-to-date version of GROMACS (and it is likely that you shou

[gmx-users] installation problem of gromacs 4.0.7 on Rocks cluster

Dear Gmx Users, I am facing problem while installing gromacs 4.0.7 on the rocks cluster 1. command: ./configure --enable-float --enable-threads --enable-sse --enable-mpi we got the following error: checking for cc... cc checking for C compiler default output file name... a.out checking whether t

[gmx-users] installation problem

Hi All, I've installed fftw-3.3 on my computer when I try to install GROMACS I run into problems. A little information: Here are the values for LDFLAGS and CPPFLAGS echo $LDFLAGS -L/home/ramone/mygromacs/lib The content of this directory is the following: libfftw3f.a libfftw3f.la* pkgconfig

Re: [gmx-users] installation of FFTW

On 14/09/2011 3:24 PM, ITHAYARAJA wrote: Hi I am working with RHEL 6 beta, I unable to install the FFTW package while installation I found the following error, There is no error reported in what you have shown. make[3]: Leaving directory `/home/Ithayaraja/Desktop/ fftw-3.3.1-beta1/tools'

[gmx-users] installation of FFTW

Hi I am working with RHEL 6 beta, I unable to install the FFTW package while installation I found the following error, make[3]: Leaving directory `/home/Ithayaraja/Desktop/ fftw-3.3.1-beta1/tools' make[2]: Leaving directory `/home/Ithayaraja/Desktop/fftw-3.3.1-beta1/tools' Making all in m4 make[

Re: [gmx-users] Installation gromacs in Scientific Linux

On 7/09/2011 1:01 PM, Nathalia Garces wrote: Hello, The last 6 months I've been working with gromacs (4.5.3 and 4.5.4) in Ubuntu (10.4) and it has worked fine. The problem started when I changed the linux distribution to Scientific Linux (5.3)... I followed the same steps to download/configur

[gmx-users] Installation gromacs in Scientific Linux

Hello, The last 6 months I've been working with gromacs (4.5.3 and 4.5.4) in Ubuntu (10.4) and it has worked fine. The problem started when I changed the linux distribution to Scientific Linux (5.3)... I followed the same steps to download/configure gromacs but something's wrong or missing because

Re: [gmx-users] Installation of gromacs-gpu on windows

I think so! 2011/7/8 Szilárd Páll : > I think you made the right decision! :) > -- > Szilárd > > > > On Fri, Jul 8, 2011 at 12:50 PM, Андрей Гончар wrote: >> Thanks a lot! >> Now we decided to use gromacs under linux and the installation of >> gromacs and gromacs-gpu has passed without errors >>

Re: [gmx-users] Installation of gromacs-gpu on windows

I think you made the right decision! :) -- Szilárd On Fri, Jul 8, 2011 at 12:50 PM, Андрей Гончар wrote: > Thanks a lot! > Now we decided to use gromacs under linux and the installation of > gromacs and gromacs-gpu has passed without errors > Problem is solved :) > > 2011/7/8 Szilárd Páll : >>

Re: [gmx-users] Installation of gromacs-gpu on windows

Thanks a lot! Now we decided to use gromacs under linux and the installation of gromacs and gromacs-gpu has passed without errors Problem is solved :) 2011/7/8 Szilárd Páll : > Well, unfortunately I don't know of any step-by-step tutorial, but > from what I remember the workflow is pretty straight

Re: [gmx-users] Installation of gromacs-gpu on windows

Well, unfortunately I don't know of any step-by-step tutorial, but from what I remember the workflow is pretty straightforward and looks something like this: - Download dependencies, there is precompiled OpenMM and FFTW for Windows. - Run CMake, you'll have to set up the library dependencies manua

Re: [gmx-users] Installation of gromacs-gpu on windows

Thank you for your reply! Now can I have your attention for another quetsion? I'm not very experienced in Visual Studio because I do almost all of my work under linux. But now it is necessary to compile gromacs-gpu under windows. Could someone point me to a tutorial or how-to about step-by-step com

Re: [gmx-users] Installation of gromacs-gpu on windows

Dear Andrew, Compiling on Windows was tested only using MSVC and I have no idea if it works or not under cygwin. You should just try, both cmake and gcc is available for cygwin so you might be lucky and get mdrun-gpu compiled without any additional effort. All binaries on the Gromacs webpage _are

[gmx-users] Installation of gromacs-gpu on windows

Hello! I have a misunderstood about the installation of gpu-enabled gromacs under windows. I'll try to explain: in system requirements of gromacs-gpu it is wrote that Nvidia CUDA libraries have to be installed. But is it possible to do under cygwin? This quertion appears because we run gromacs unde

Re: [gmx-users] Installation error

You are really PATIENT waiting for FOUR months for the answers. Ask the person around you they might be able to provide useful suggestions. There might be some libs linking problem. I have never tried the Cygwin, you may really try "searching" first before "waiting". lina P.S if I were you, I

Re: [gmx-users] Installation error

On 15/04/2011 12:29 AM, pawan raghav wrote: I have already posted this error report on 6 Dec 2010 but still have not getting any solution. So I am thankful if any one can rectify the solution of installation problem i.e. While installing gromacs-4.5.3 I got an error on executing make command. I

[gmx-users] Installation error

I have already posted this error report on 6 Dec 2010 but still have not getting any solution. So I am thankful if any one can rectify the solution of installation problem i.e. While installing gromacs-4.5.3 I got an error on executing make command. I am installing this gromacs version on cygwin. T

Re: [gmx-users] installation of gromacs

On 17/03/11, Diego Enry wrote: > You got this wrong > export CPPFLAGS="-I/home/local/fftw/include" > export LDFLAGS="-L/home/local/fftw/lib" > > replace by this > export CPPFLAGS="-I$HOME/local/fftw/include" > export LDFLAGS="-L$HOME/local/fftw/lib" > This is immaterial if Thomas installed t

Re: [gmx-users] installation of gromacs

Thomas Koller wrote: Now I get this again: checking for fftw3.h... configure: error: Cannot find the default external FFT library (fftw3). Please follow my way: i) I unpacke fftw and gromacs to two folders. iii) I go the the fftw folder and make: - ./configure --prefix=$HOME/local/fftw3

Re: [gmx-users] installation of gromacs

You got this wrong export CPPFLAGS="-I/home/local/fftw/include" export LDFLAGS="-L/home/local/fftw/lib" replace by this export CPPFLAGS="-I$HOME/local/fftw/include" export LDFLAGS="-L$HOME/local/fftw/lib" On Thu, Mar 17, 2011 at 12:24 PM, Thomas Koller wrote: > Now I get this again: > > checkin

Re: [gmx-users] installation of gromacs

On 17/03/11, Thomas Koller wrote: > Now I get this again: > > checking for fftw3.h... configure: error: Cannot find the default external > FFT library (fftw3). > > > > Please follow my way: > > i) I unpacke fftw and gromacs to two folders. > iii) I go the the fftw folder and make: >    

[gmx-users] installation of gromacs

Now I get this again: checking for fftw3.h... configure: error: Cannot find the default external FFT library (fftw3). Please follow my way: i) I unpacke fftw and gromacs to two folders. iii) I go the the fftw folder and make: - ./configure --prefix=$HOME/local/fftw3 --enable-sse --enable-sh

Re: [gmx-users] installation of gromacs

Hi Thomas, the error you see indeed suggests that something is messed up with your compiler. In your case however I think that is due to the CPPFLAGS and LDFLAGS you set. Those sometimes mess with the configure makros. Try export CPPFLAGS= export LDFLAGS= export LD_LIBRARY_PATH= to erase what yo

Re: [gmx-users] installation of gromacs

On Thu, 2011-03-17 at 10:44 +0100, Thomas Koller wrote: > Hi Nuno, > > I have still problems with the insatllation of the 4.0.7 version. > > After unpacking of fftw and gromacs, I did: > > In the fftw folder: > > ./configure --prefix=$HOME/local/fftw3 --enable-sse --enable-shared > --enable-f

Re: [gmx-users] installation of gromacs

Hi Thomas, please send the complete config.log. After you try what I suggest bellow. I guess the environment variables for compilers and libs are not set correctly, not your fault, we'll check on the config file. #make sure your're usnig bash bash #export the regular variables export CPPFLAGS="-

[gmx-users] installation of gromacs

Hi Nuno, I have still problems with the insatllation of the 4.0.7 version. After unpacking of fftw and gromacs, I did: In the fftw folder: ./configure --prefix=$HOME/local/fftw3 --enable-sse --enable-shared --enable-float make -j make install export CPPFLAGS="-I$HOME/local/fftw3/include" expor

Re: [gmx-users] installation of gromacs

On 16/03/11, Thomas Koller wrote: > Hello, > > I did the procedure as described, but at the end of the configuration of > gromacs, I obtain this message: > > checking size of void*... configure: error: cannot compute sizeof (void*) > See `config.log' for more details. > > What is the proble

[gmx-users] installation of gromacs

Hello, I did the procedure as described, but at the end of the configuration of gromacs, I obtain this message: checking size of void*... configure: error: cannot compute sizeof (void*) See `config.log' for more details. What is the problem? Regards, Thomas -- Empfehlen Sie GMX DSL Ihren Freu

Re: [gmx-users] installation of gromacs

Hello, it seems FFTW3 is not installed in the LD_LIBRARY_PATH and/or the fftw3 headers can not be found. On Ubuntu, most likely the headers are not installed (available in the package libfftw3-dev). However it is really easy to compile FFTW3 yourself and install it inside your $HOME. Then you do n

Re: [gmx-users] installation of gromacs

The most basic question is: did you install FFTW as root or superuser ? sudo make install If so, try to provide fftw /lib and /include locations (using CPPFLAGS and LDFLAGS) while configuring GMX. (from the Installation Instructions) setenv CPPFLAGS -I/home/joe/fftw/include setenv LDFLAGS -L/ho

[gmx-users] installation of gromacs

Hello, I want to install Gromacs 4.5.3 in my computer. Therefore I downloaded fftw 3.2.2 and did as in the instructions: ./configure --enable-float make make install After that I ran: ./configure with Gromacs, but I always get: checking for fftw3.h... configure: error: Cannot find the defau

Re: [gmx-users] Installation GROMACS UBUNTU

Thanks, but I will start from scratch. On Fri, Dec 24, 2010 at 3:13 PM, Justin A. Lemkul wrote: > Quoting Sergio Manzetti : > > > Justin, THe FFTW messagte was AFTER sudo make install. > > > > Then you're not an admin. You can always do the installations in your home > directory (for both FF

Re: [gmx-users] Installation GROMACS UBUNTU

Quoting Sergio Manzetti : > Justin, THe FFTW messagte was AFTER sudo make install. > Then you're not an admin. You can always do the installations in your home directory (for both FFTW and Gromacs) by specifying an appropriate --prefix during configuration. -Justin > On Fri, Dec 24, 2010 at

Re: [gmx-users] Installation GROMACS UBUNTU

Justin, THe FFTW messagte was AFTER sudo make install. On Fri, Dec 24, 2010 at 2:53 PM, Sergio Manzetti < sergio.manze...@vestforsk.no> wrote: > Well here is the FFTW message at make install: > > /usr/bin/install -c -m 644 'fftw3.h' '/usr/local/include/fftw3.h' > /usr/bin/install: cannot rem

Re: [gmx-users] Installation GROMACS UBUNTU

Well here is the FFTW message at make install: /usr/bin/install -c -m 644 'fftw3.h' '/usr/local/include/fftw3.h' /usr/bin/install: cannot remove `/usr/local/include/fftw3.h': Permission denied /usr/bin/install -c -m 644 'fftw3.f' '/usr/local/include/fftw3.f' /usr/bin/install: cannot remove `/usr

Re: [gmx-users] Installation GROMACS UBUNTU

Thanks again J, is that compulsory each time one installs something new? On Fri, Dec 24, 2010 at 2:50 PM, Justin A. Lemkul wrote: > Quoting Sergio Manzetti : > > > Thanks J, I think I will install Ubuntu entirely first, because I just > tried > > to install FFTW now, and managed only to get to m

Re: [gmx-users] Installation GROMACS UBUNTU

Quoting Sergio Manzetti : > Thanks J, I think I will install Ubuntu entirely first, because I just tried > to install FFTW now, and managed only to get to make install, then I got > permission denied messages, so even though I thought I was the admin, I am > seemingly not. > Before blowing away y

Re: [gmx-users] Installation GROMACS UBUNTU

Thanks J, I think I will install Ubuntu entirely first, because I just tried to install FFTW now, and managed only to get to make install, then I got permission denied messages, so even though I thought I was the admin, I am seemingly not. On Fri, Dec 24, 2010 at 2:44 PM, Justin A. Lemkul wrote:

Re: [gmx-users] Installation GROMACS UBUNTU

Quoting Sergio Manzetti : > Thanks Justin, here is it the copy-out: > > ser...@sergio-laptop:~/Desktop/gromacs-4.5.3$ ./configure > checking build system type... i686-pc-linux-gnu > checking host system type... i686-pc-linux-gnu > checking for a BSD-compatible install... /usr/bin/install -c > chec

Re: [gmx-users] Installation GROMACS UBUNTU

Thanks Justin, here is it the copy-out: ser...@sergio-laptop:~/Desktop/gromacs-4.5.3$ ./configure checking build system type... i686-pc-linux-gnu checking host system type... i686-pc-linux-gnu checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane..

Re: [gmx-users] Installation GROMACS UBUNTU

Quoting Sergio Manzetti : > Not really, there were no errors with ./configure > That's simply not possible. The purpose of configuration is to determine specifications of your system, which are then used to write the Makefile. If you have no Makefile, then something failed. If you want to try to

Re: [gmx-users] Installation GROMACS UBUNTU

Not really, there were no errors with ./configure so I downloaded the version through ubunto sudo -apt get install gromacs but it was old version On Fri, Dec 24, 2010 at 10:53 AM, Mark Abraham wrote: > On 24/12/2010 6:45 PM, Sergio Manzetti wrote: > > Hi thanks, but if I use make it says mak

Re: [gmx-users] Installation GROMACS UBUNTU

On 24/12/2010 6:45 PM, Sergio Manzetti wrote: Hi thanks, but if I use make it says make no Makefile found... Right, so configure didn't work, unlike your statement that it did work... Troubleshoot the step that failed, not things that came after it... Mark On Thu, Dec 23, 2010 at 10:46 PM

Re: [gmx-users] Installation GROMACS UBUNTU

On Fri, Dec 24, 2010 at 3:45 PM, Sergio Manzetti < sergio.manze...@vestforsk.no> wrote: > Hi thanks, but if I use make it says make no Makefile found... > > Yes, Makefile should be generated by configure. You should check the last few lines that configure output to your screen and the configure lo

Re: [gmx-users] Installation GROMACS UBUNTU

Hi thanks, but if I use make it says make no Makefile found... On Thu, Dec 23, 2010 at 10:46 PM, Mark Abraham wrote: > On 23/12/2010 9:12 PM, Sergio Manzetti wrote: > >> >> >> >> >> Dear Users, I am unable to get pass the first step of ./configure . This >> step works, but when typing "make" it

Re: [gmx-users] Installation GROMACS UBUNTU

On 23/12/2010 9:12 PM, Sergio Manzetti wrote: Dear Users, I am unable to get pass the first step of ./configure . This step works, but when typing "make" it says: no targets specified and no makefile found. That suggests configure did not work. Should it be like this, or is it compulso

Re: [gmx-users] Installation GROMACS UBUNTU

I would like to suggest to you read [1] Furthermore, you can read INSTALL.cmake file which explains some steps to compile Gromacs through cmake command. [1] http://www.gromacs.org/Developer_Zone/Cmake -- Rodrigo Antonio Faccioli Ph.D Student in Electrical Engineering University of Sao Paulo - U

[gmx-users] Installation GROMACS UBUNTU

Dear Users, I am unable to get pass the first step of ./configure . This step works, but when typing "make" it says: no targets specified and no makefile found. Should it be like this, or is it compulsory to use cmake? -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/m

Re: [gmx-users] installation

On Nov 24, 2010, at 4:04 PM, Rossella Noschese wrote: > Hi all, I'm trying to install gromacs.4.5.3 on fedora 13. > I followed the instruction on the website, I completed my make install and > this was the output: > GROMACS is installed under /usr/local/gromacs. > Make sure to update your PATH

Re: [gmx-users] installation

it was g_luck!!!it changed...ok, now it seems it wors! Thanks 2010/11/24 Rossella Noschese > ok, but when I type luck it says command not found, where's my mistake? > > 2010/11/24 Justin A. Lemkul > > Quoting Rossella Noschese : >> >> > Hi all, I'm trying to install gromacs.4.5.3 on fedora

Re: [gmx-users] installation

ok, but when I type luck it says command not found, where's my mistake? 2010/11/24 Justin A. Lemkul > Quoting Rossella Noschese : > > > Hi all, I'm trying to install gromacs.4.5.3 on fedora 13. > > I followed the instruction on the website, I completed my make install > and > > this was the outp

Re: [gmx-users] installation

Quoting Rossella Noschese : > Hi all, I'm trying to install gromacs.4.5.3 on fedora 13. > I followed the instruction on the website, I completed my make install and > this was the output: > GROMACS is installed under /usr/local/gromacs. > Make sure to update your PATH and MANPATH to find the > p

[gmx-users] installation

Hi all, I'm trying to install gromacs.4.5.3 on fedora 13. I followed the instruction on the website, I completed my make install and this was the output: GROMACS is installed under /usr/local/gromacs. Make sure to update your PATH and MANPATH to find the programs and unix manual pages, and possib

Re: [gmx-users] installation of gromacs on windows using cygwin

On 5/11/2010 10:48 PM, bharat gupta wrote: I followed the same instructions given in the gromacs manual , step by step ... I first tried installing gromacs with the first command given in the manual and then again I installed with the options for FLAGS but finally ended up with the following er

Re: [gmx-users] installation of gromacs on windows using cygwin

bharat gupta wrote: I think I was installing the linux version of fftw3 on windows .. I downloaded this file - fftw-3.2.2.pl1-dll32.zip for installation .. but ./configure command is not working for this file ... as I am getting the fol

Re: [gmx-users] installation of gromacs on windows using cygwin

I think I was installing the linux version of fftw3 on windows .. I downloaded this file - fftw-3.2.2.pl1-dll32.zip for installation .. but ./configure command is not working for this file ... as I am getting the following error $ ./configure

Re: [gmx-users] installation of gromacs on windows using cygwin

I followed the same instructions given in the gromacs manual , step by step ... I first tried installing gromacs with the first command given in the manual and then again I installed with the options for FLAGS but finally ended up with the following error in both the above mentioned conditions :-

Re: [gmx-users] installation of gromacs on windows using cygwin

On 5/11/2010 6:30 PM, bharat gupta wrote: Hi there .. I have been trying to install gromacs on windows using cygwin .. and after the installation of the fftw3 package , the moment i install the gromacs using the first command ./configure .. It gives an error that fftw3 package cannot be locat

Re: [gmx-users] installation of gromacs on windows using cygwin

Hi, If you have installed fftw3 in the standard location it whould work out of the box. Otherwise, you have to set the LDFLAGS and CPPFLAGS to the library and include location respectively. However, there's one more thing I can think of: did you make sure that you compiled fftw3 in single precisi

[gmx-users] installation of gromacs on windows using cygwin

Hi there .. I have been trying to install gromacs on windows using cygwin .. and after the installation of the fftw3 package , the moment i install the gromacs using the first command ./configure .. It gives an error that fftw3 package cannot be located .. can anybody pls help find out where am I

Re: [gmx-users] Installation failed

Kamalesh Roy wrote: Hi.. every body I am trying to install Gromacs 4.5.1 using updated version of fftw-3.3.1 in single precision in Fedora 9... Giving an error "fftw3f library not found..." I am mentioning the path before installing but still giving that error Please copy and paste yo

[gmx-users] Installation failed

Hi.. every body I am trying to install Gromacs 4.5.1 using updated version of fftw-3.3.1 in single precision in Fedora 9... Giving an error "fftw3f library not found..." I am mentioning the path before installing but still giving that error Will it be successful in Red Hat enterprize edition.

Re: [gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2

On Tue, 5 Oct 2010 20:03:41 +0530 (IST) ras...@chem.iitb.ac.in wrote: > Hi All, > > I want to install Gromacs 4.5.1 version on a cluster system (high > performance computing facility) in our institute. I don't have access > to root and thus, I have to install gromacs in my home directory. > > Th

RE: [gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2

are not 100% sure, but version 4.5.1 probably works fine with gcc 4.1.2. Berk > Date: Tue, 5 Oct 2010 20:03:41 +0530 > From: ras...@chem.iitb.ac.in > To: gmx-users@gromacs.org > Subject: [gmx-users] Installation of gromacs on a cluster with gcc version > 4.1.2 > > Hi All, &

[gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2

Hi All, I want to install Gromacs 4.5.1 version on a cluster system (high performance computing facility) in our institute. I don't have access to root and thus, I have to install gromacs in my home directory. The problem is that, the cluster has CentOS 5.4 as the operating system and the gcc ver

  1   2   3   >