Dear Sir
I am trying to install QE on a dell laptop which fullfil all requirements
(Compilerslibraries)
I am not very good at linux , pls help
I followed the following steps
tar zxvf espresso-4.3.2.tar.gz
gunzip -c espresso-4.3.2.tar.gz
cd espresso-4.3.2
./configure
make all
gedit .bashrc &
Install the QE in Ubuntu is easy.
De: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] en nombre de
Sohail Ahmad [sohailphysics at yahoo.co.in]
Enviado: jueves, 24 de octubre de 2013 12:27 p.m.
Para: Plane Wave
Asunto: [Pw_forum] Installation
On Fri, 2013-10-25 at 01:27 +0800, Sohail Ahmad wrote:
> ERROR: /home/sohail/espresso/espresso-4.3.2/Examples/bin not existent
you have set the wrong value of PREFIX in
/home/sohail/espresso/espresso-4.3.2/environment_variables
P.
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ.
Hi,
After installing quantum espresso in a cluster by using commands
'./configure' and 'make all' when I was running a calculation it was giving
the message like below-
"WARNING: No preset parameters were found for the device that Open MPI
detected:
Local host:didymium.cmpg
I wish to install QE on my laptop
(Toshiba/8GB RAM/i7 Processor/750 GB HD)
For this
I installed fedora 17 and trying to install recent fortran composer but it
always gives
initilaizing and then arcitecture mismatch
Can any body help
Sohail
KKU
Saudi
-- next part --
An
Dear Sohail,
I think the shortest way to solve this problem is to get a Mandriva linux
and you can be sure of no error.
thanks
Musari A.A
On Sun, Aug 5, 2012 at 5:11 PM, Sohail Ahmad wrote:
> I wish to install QE on my laptop
> (Toshiba/8GB RAM/i7 Processor/750 GB HD)
>
> For this
> I installed
On Mon, Aug 6, 2012 at 4:38 PM, Abolore Musari wrote:
>
> Dear Sohail,
> I think the shortest way to solve this problem is to get a Mandriva linux
> and you can be sure of no error.
congratulations for providing advice that is not only
incorrect, but also will cause a *lot* of work for no
good re
Hi
> ifc: Command line warning:
> ignoring unknown option '-nomodule'
you are using ifc version 5 or 6. Use this:
MODULEFLAG= -cl,./intel.pcl
instead of this (for ifc version 7 only):
MODULEFLAG= -nomodule -I $(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH
in make.sys. Files "intel.pcl" should
n CAPITAL
173 Lines Compiled
ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL
-DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f
77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_creat
ore function.
Good Luck to U
Hosik Lee
-Original Message-
From: pw_forum-admin at pwscf.org [mailto:pw_forum-ad...@pwscf.org]On Behalf Of
Mahmoud Payami
Sent: Friday, March 28, 2003 2:38 AM
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] installation Error
Dear Paolo,
Thank you very m
Hi
> You need another library 'fftw'. You can get the source files of 'fftw'
> from www.fftw.org. When you compile fftw, libfftw.a can be obtained in
> ($your fftw directory)/fftw/.lib/.
correct. Note that some Linux distributions (notably SuSe) may have
fftw available as "-ldfftw" (d = double pr
Dear Paolo and Hosik,
Thank you very much for your helps. I have downloaded the fftw3
and installed. The location of the "libfftw3.a" file is "/usr/local/lib"
In "make.sys", I have changed the "-lfftw" to "/usr/local/lib/libfftw3.a".
(Some other "fft" also exists at "/opt/intel/mkl/tests/fftf/sourc
Dear Mahmoud,
The "-w" flag should be added to compiler options
(FFLAGS) in order to avoid warning messages. What
concerns underscores, you can try add the
-DADD_BLAS_ONE_UNDERSCORE
flag to CPPFLAGS. Besides, your FFTW library should be
linked before the MKL-one.
Hope it works.
Regards,
Eyvaz
Hi
> The "-w" flag should be added to compiler options
> (FFLAGS) in order to avoid warning messages
interesting!
>What concerns underscores, you can try add the
>
> -DADD_BLAS_ONE_UNDERSCORE
>
> flag to CPPFLAGS. Besides, your FFTW library should be
> linked before the MKL-one.
I don't think e
Dear Eyvaz and PWSCF users and developers,
Thank you very much for your suggestions. I followed as you suggested
but the following errors appeared:
142 Lines Compiled
ifc -o pw.x pwcom.o para.o aainit.o addusdens.o addusforce.o addusstress.o
add_vuspsi.o alloc
Dear PWSCF users,
I am a beginner with the PWSCF and have started installing the code. I am using
Linux, ifc+mkl5.2, Pentium4.
I have changed "tpp6" to "tpp7" and also added "-lguide" in make.sys file.
I encountered the following messages when I tried to compile
"make pw". Any comments are highly
Hi everybody,
I have been trying to install the code "espresso-4.0.5" on IBM pSeries 575, a
clustered SMP (Symmetric Multiprocessing) system.
When I issue ./configure , every things are OK. (configure: success).
However, when I run (make pwall) I always get the error.
mpfort -o ph.x phonon.o \
Dear all
I want to install the Graphical interface i.e pwgui in my computer (
Intel(R) Pentium(R) Dual CPU E2140 @ 1.60GHz, OS= CENTOS-5.0,)but i am
unable to do that.
I download the .tar.gz file and extract it in the folder espresso-4.2.
than type ./pwgui it shows.
[root at ranjit PWgui-4.
On Dec 22, 2010, at 19:11 , Ranjit Thapa wrote:
> can't find package Itk
pwgui uses a version of Tcl/Tk called "IncrTcl" or something
like this. On some Linux distributions it is not installed by
default.
P.
---
Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 3310
Dear all,
I am trying to install quantum espresso on 64 bit hp work station. But
executables are not being generated.
I am getting following error.
/usr/include/bits/stdio.h: In function ?memstat_?:
/usr/include/bits/stdio.h:38: error: nested function ?vprintf? declared
?extern?
/usr/include/bi
Dear Shyam
Well... First of all you may try with the latest stable QE version (5.0.2). You
will obtain also much more help!
HTH
Giuseppe
On Thursday 18 April 2013 11:58:54 Shyam Khambholja wrote:
> Dear all,
>
> I am trying to install quantum espresso on 64 bit hp work station. But
> executable
Dear QE users,
Recently I reinstalled QE-5.0.2 on my computer, but the following error
message resulted:
"
gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW
-I../include -I../../iotk/src -I../../Modules -I. -c exx.f90
In file exx.f90:1547
ENDIF&
Hi Yantao Wu
May be you need to put a space between ENDIF and &
then do make clean and recompile the code
Surender
IIT Bombay, India
> Dear QE users,
>
> Recently I reinstalled QE-5.0.2 on my computer, but the following error
> message resulted:
>
> "
> gfortran -O3 -g -x f95-cpp-input -D__GFORT
Thanks, Surender! That did seem to solve the problem! Thank you very much.
But wouldn't this imply an error in the source files, which I'm sure most
people didn't encounter. Does anyone know why?
Thanks
On Mon, May 20, 2013 at 10:38 AM, Surender wrote:
> Hi Yantao Wu
>
> May be you need to put
On 20 May 2013 20:34, Yantao Wu wrote:
> Thanks, Surender! That did seem to solve the problem! Thank you very much.
> But wouldn't this imply an error in the source files, which I'm sure most
> people didn't encounter. Does anyone know why?
>
>
>
Some compilers are pickier than others, thank you
On Mon, 2013-05-20 at 11:34 -0700, Yantao Wu wrote:
> wouldn't this imply an error in the source files, which I'm sure
> most people didn't encounter. Does anyone know why?
some compilers are more picky than others. In this case, I do not see
anything wrong in the syntax, so maybe your compiler
Hi all,
When I ran example01 in PW, the following error resulted:
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_end (iotk_scan.f90:241
Hi,
I had a similar problem with GNU Fortran 4.1.2 compiler, and if you are
using gfortran version < 4.5 then most probably its the compiler issue.Now
either you can use a newer version gfortran or compile your code with
Intel non-commercial compilers.
Moreover, you can search pw-forum and may be
Thank you very much, Surender. (I want to bake you cookies! ) I ran
./configure again and it seems that I'm using gfortran-4.1.2 as well.
Yantao
On Mon, May 20, 2013 at 2:41 PM, Surender wrote:
> Hi,
> I had a similar problem with GNU Fortran 4.1.2 compiler, and if you are
> using gfortran ver
Dear all,
My administrator just installed gfortran44 (version 4.4), which is somewhat
newer than 4.1.2. However, I don't he removed the 4.1.2 compiler. When I
ran ./configure, it seemed that QE still recognized the 4.1.2 one instead
of the 4.4 one. So in the case of two or more fortran compilers,
On Tue, May 21, 2013 at 6:45 PM, Yantao Wu wrote:
> Dear all,
>
> My administrator just installed gfortran44 (version 4.4), which is somewhat
> newer than 4.1.2. However, I don't he removed the 4.1.2 compiler. When I ran
it is outdated just as well. gcc-4.7 is current and will soon be
succeeded b
Hi Axel,
Thank you for your reply. But can you be more specific about how to
override the compilers? In the User's Guide, the most relevant thing I
could find was to modify some environment variables. But in
the environment_variables.txt, I only found something about path setting,
wget, parallelis
On Tue, May 21, 2013 at 7:40 PM, Yantao Wu wrote:
> Hi Axel,
>
> Thank you for your reply. But can you be more specific about how to override
> the compilers? In the User's Guide, the most relevant thing I could find was
> to modify some environment variables. But in the environment_variables.txt,
Hi Yantao,
Can you make a symlink to the 4.4 version and ./configure with that?
For example:
ln -s /usr/bin/gfortran /usr/bin/gfortran-4.4to make the link
(change /usr/bin/gfortran to wherever the gfortran 4.4 binary is)
then configure espresso with
./configure F90=gfortran-4.4
I tri
> Dear all,
>
> My administrator just installed gfortran44 (version 4.4), which is
> somewhat newer than 4.1.2.
As Axel pointed out it is still outdated and in worse case may not work
from QE user guide
"Using gfortran v.4.4 (after May 27, 2009) and 4.5 (after May 5, 2009) can
produce wrong result
Hi Yantao,
Also you may qualify for the intel compiler:
http://software.intel.com/en-us/non-commercial-software-development
Ben
> Hi Axel,
>
> Thank you for your reply. But can you be more specific about how to
> override the compilers? In the User's Guide, the most relevant thing I
> could fi
> Dear all,
>
> My administrator just installed gfortran44 (version 4.4), which is
> somewhat newer than 4.1.2.
As Axel pointed out it is still outdated and in worse case may not work.
>From QE user guide
"Using gfortran v.4.4 (after May 27, 2009) and 4.5 (after May 5, 2009) can
produce wrong res
On Tue, May 21, 2013 at 8:07 PM, Ben Palmer wrote:
> Hi Yantao,
>
> Also you may qualify for the intel compiler:
>
> http://software.intel.com/en-us/non-commercial-software-development
*very* unlikely. the intel web site explains in great detail that
using the non-commercial version for research
Ah, I have to admit I didn't read their information closely :) getting
the right version of gfortran to run seems to be the way then.
> On Tue, May 21, 2013 at 8:07 PM, Ben Palmer
> wrote:
>> Hi Yantao,
>>
>> Also you may qualify for the intel compiler:
>>
>> http://software.intel.com/en-us/non
Thank you, Ben, Surender, and Axel. Your suggestions are of much help to
me. It seems gfortran44 works for me now, though it may produce errors in
the future, and I will keep this possibility in mind.
I talked to my professor about installing a newer version of gfortran, and
just for your curiosit
GOOD MORNING
Bhabyadarsan Sahoo (Lipun)
Scientific Officer - D ,
Applied Physics Division,
Bhabha Atomic Research Center,
Mumbai - 400085,
India.
On Thu, Feb 5, 2015 at 6:56 PM, Jiban Kangsabanik
wrote:
> Hi,
> After installing quantum espresso in a cluster by using commands
> './configur
can u help with this thing?
On Fri, Feb 6, 2015 at 10:11 AM, B D SAHOO wrote:
> GOOD MORNING
>
> Bhabyadarsan Sahoo (Lipun)
> Scientific Officer - D ,
> Applied Physics Division,
> Bhabha Atomic Research Center,
> Mumbai - 400085,
> India.
>
>
> On Thu, Feb 5, 2015 at 6:56 PM, Jiban Kangsabanik
Dear Jiban,
this mailing-list is _NOT_ meant to provide user support to people that have
problems with their HPC system, problem to compile MPI libraries or math
libraries. Here the problem is how you are using Quantum ESPRESSO, not Quantum
ESPRESSO itself.
Please address this type of problems
Sir,
I am so sorry for my language. I was absolutely unaware of that kind
of problem. I just started to use Quantum Espresso. Sorry again.
On Fri, Feb 6, 2015 at 8:10 AM, Filippo Spiga
wrote:
> Dear Jiban,
>
> this mailing-list is _NOT_ meant to provide user support to people that
> have
Hi
I have recently tried to install quantum espresso onto rocks cluster
5.4.3 (x86_64)
using root
I tried the installation in /share/apps/espresso-4.5.2
when executed ./configure --prefix=/share/apps/espresso-4.5.2 was
successful
I found that the configuration searched for some files in
/opt/
On Aug 30, 2011, at 20:06 , raghuvir at bcpindia.org wrote:
> I have recently tried to install quantum espresso [...]
> using root
looks like a bad idea to me. Just install as a user, copy executables
in a public area
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=1)
this i
---
>
> Message: 1
> Date: Tue, 30 Aug 2011 21:21:07 +0200
> From: Paolo Giannozzi
> Subject: Re: [Pw_forum] Installation ERROR
> To: PWSCF Forum
> Message-ID:
> Content-Type: text/plain; charset=US-ASCII; format=flowed
>
>
> On Aug 30, 2011,
On Wed, 31 Aug 2011 15:18:35 +0200, Raghuvir R S Pissurlenkar
wrote:
> I am trying to compile with Intel Compilers (Intel Compose XE 12 the
> free version) but I recieve an error during configuration, that the
>
> configure: WARNING: parallel compiler mpif90 uses gfortran, but serial
> compi
On Feb 1, 2010, at 6:40 , dev sharma wrote:
> Please guide
please read the user guide: it clearly states that all "internal
compiler
errors" and the like are a problem of the compiler, not of QE
P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, It
Dear Sir,
I tried to install QE with Fedora 12 on another system. After the
configuring, i encountered the following problem. Please Guide.
Thanks
if test -d iotk ; then \
( cd iotk ; if test "make" = "" ; then make TLDEPS= lib+util ; \
else make TLDEPS= lib+util ; fi ) ; fi
make[1]: Ent
Get the latest version, or at least, replace clib/memstat.c
with the one contained in the latest (4.1.2) version
P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
hi 2 all,
I tried to install the QE on Red Hat linux but after configuring , i
got the following error(during make). Please guide. Thanks in advance.
[student at localhost espresso-4.0.2]$ make all
test -d bin || mkdir bin
if test -d iotk ; then \
( cd iotk ; if test "make" = "" ; then make TLD
Dear friends
make all says
comments like this
gfortran: -lfftw: linker input file unused because linking not done
gfortran -O3 -x f95-cpp-input -D__FFTW -I../include -lfftw -I./ -I../Modules
-I../iotk/src -I../PW -I../PH -I../CPV -c vloc_psi.f90
gfortran: -lfftw: linker input file unu
On Dec 4, 2007, at 9:59 , ramesh kumar wrote:
> make all says comments like this
>
> gfortran -O3 -x f95-cpp-input -D__FFTW -I../include -lfftw -I./ -
> I../Modules -I../iotk/src -I../PW -I../PH -I../CPV -c vloc_psi.f90
> gfortran: -lfftw: linker input file unused because linking not done
>
Dear All,
I currently use QE version 4.0.5. In an attempt to install version
4.3, 'make' stopped with the error msg:
make[1]:** No rule to make target '../PW/libpw.a', needed by 'phcg.x'. Stop.
I'll be grateful if any body can assist in resolving this problem.
Kingsley Onaiwu
On Sep 10, 2011, at 21:50 , Onaiwu Kingsley Nosa wrote:
> make[1]:** No rule to make target '../PW/libpw.a', needed by
> 'phcg.x'. Stop.
you cannot get such a message unless you do something weird
P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 20
Hello,Should I download espresso-4.2.1-examples.tar.gz along with
qe-6.1-examples.tar.gz and qe-6.1.tar.gz?
Regards,
Mahmood___
Pw_forum mailing list
Pw_forum@pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum
Dear all,
perhaps it's a dumb question, but I cannot run PWgui.
The following packages are installed in my linux Gentoo:
tcl-8.4.18
tk-8.4.18
itcl-3.3-r1
itk-3.3-r1
iwidgets-4.0.1
If I understood correctly sources should work.
However, after typing ./pwgui I got the response below.
Any suggestion
Carlo Nervi wrote:
> perhaps it's a dumb question, but I cannot run PWgui
running PWgui from cvs requires a different procedure
than running it from packaged distributions. Did you
follow the instructions?
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
On Mon, 2009-03-16 at 14:29 +0100, Carlo Nervi wrote:
> Dear all,
> perhaps it's a dumb question, but I cannot run PWgui.
> The following packages are installed in my linux Gentoo:
>
> tcl-8.4.18
> tk-8.4.18
> itcl-3.3-r1
> itk-3.3-r1
> iwidgets-4.0.1
>
> If I understood correctly sources should
Thank you Tone!
It works!
I supposed (wrongly) that the pwgui-logo.gif should be created...
Carlo
Tone Kokalj ha scritto:
> On Mon, 2009-03-16 at 14:29 +0100, Carlo Nervi wrote:
>> Dear all,
>> perhaps it's a dumb question, but I cannot run PWgui.
>> The following packages are installed in my lin
No: qe-6.1.tar.gz and qe-6.1-examples.tar.gz contain the latest version of
all you need
Paolo
On Thu, Sep 7, 2017 at 9:51 AM, Mahmood Naderan
wrote:
> Hello,
> Should I download espresso-4.2.1-examples.tar.gz along with
> qe-6.1-examples.tar.gz and qe-6.1.tar.gz?
>
> Regards,
> Mahmood
>
> __
Thank you very much. Another question is about the configure options. The
following libraries are available on the system
ScalapackOpenBLASOpenMPI
What is the correct command for them?
./configure --enable-parallel --with-scalapack
But I don't know how to pass the library file, e.g. libscalapa
Any idea?
Regards,
Mahmood
On Friday, September 8, 2017, 2:54:20 PM GMT+4:30, Mahmood
wrote:
Thank you very much. Another question is about the configure options. The
following libraries are available on the system
ScalapackOpenBLASOpenMPI
What is the correct command for them?
./
Hi,
I have a question about compile QE-5.4.0 in our computer.
First of all, do you have an instruction for guiding the compiling process?
I saw many package there. Do we just install espresso-5.4.0, or we need to
install others, like pwgui, tddftpt, ect, all together?
Many thanks,
Tao
__
Dear all,
I moved to a new HPC, hence need install QE from scratch.
*In configuration step*, the MKL lib that I need was found successfully as
shown below:
The following libraries have been found:
BLAS_LIBS=-L/opt/intel/mkl/10.2.5.035/lib/em64t -lmkl_blas95_lp64.a
-lmkl_core.a -lmkl_sequentia
Dear developers, i have a few questions conserning the installation and
potentialities
of the PWscf program:
1)Can it be installed on PC computer under Windows, using any Unix emulator?
2)Does this program make all calculations from the first principles or it can
afford to
input certain data on t
On Mar 4, 2005, at 8:40 AM, wrote:
> Dear developers, i have a few questions conserning the installation and
> potentialities
> of the PWscf program:
> 1)Can it be installed on PC computer under Windows, using any Unix
> emulator?
this question seems to contradict question no
Dear developers, i have a few questions conserning the installation and
potentialities
of the PWscf program:
1)Can it be installed on PC computer under Windows, using any Unix emulator?
2)Does this program make all calculations from the first principles or it can
afford to
input certain data on t
Dear Anna,
I am not a developer, but I have an exprience using
the code.
> 1)Can it be installed on PC computer under Windows,
> using any Unix emulator?
Last year one of users had an opportunuity to install
PWSCF on a Windows machine. You can find this Mafefile
(Make.cygwin) in the /PWSCF/insta
./configure
make all
stefano
(sent from my phone)
> On 30 Aug 2016, at 23:33, Yu, Tao wrote:
>
> Hi,
>
>
> I have a question about compile QE-5.4.0 in our computer.
>
>
> First of all, do you have an instruction for guiding the compiling process?
>
>
> I saw many package there. Do we jus
Hi everybody...
We are trying to install ESPRESSO-3.2.3 in our AMD dual*dual core machine
which is loaded with RH-AS4. We have downloaded g95 compilers directed by
README file. Configuration has been done successfully but while making it is
showing an error. I feel it is due to external libraries
On 11/5/07, Krishna chaitanya wrote:
> Hi everybody...
>
> We are trying to install ESPRESSO-3.2.3 in our AMD dual*dual core machine
> which is loaded with RH-AS4. We have downloaded g95 compilers directed by
> README file. Configuration has been done successfully but while making it is
> showing
You must not put the ".a" in library names
HTH
Lorenzo Paulatto - Paris
On 12 Sep 2015 2:23 pm, "Yue-Wen Fang" wrote:
> Dear all,
>
> I moved to a new HPC, hence need install QE from scratch.
>
> *In configuration step*, the MKL lib that I need was found successfully
> as shown below:
>
> The
Hi HTH,Thanks for your reply. However, that's not the key. Before posting this question, I've tested what you said and it gave same errors.BestsFang
Sent from YoMail
<
Lorenzo Paulatto> 2015-09-12 20:31:48 wrote:
You must not put the ".a" in library namesHTHLorenzo Paulatto
Dear Fang,
I do not know what the problem is, but if you insert those ".a" with the
-l option, you must have libraries called "lib.a.a" or
"lib.a.so" in the directories. Please check again in all the names of
libraries, and post us the resulting compilation log together with the
"make.sys" file.
On Saturday, September 12, 2015 11:14:22 PM yuewen.fang wrote:
> Hi HTH,
>
> Thanks for your reply. However, that's not the key. Before posting this
> question, I've tested what you said and it gave same errors.
Then you should ask the right question...
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- C
Dear QE users,
I was installing Quantum Espresso on my SL-5x system. I wasn't able to
install. It stopped with the message:
checking build system type... x86_64-unknown-linux-gnu
checking architecture... x86_64
checking for ifort... no
checking for ifc... no
checking for efc... no
checking for pg
On Jan 5, 2011, at 15:01 , kanchan sonkar wrote:
> checking for Fortran 77 compiler default output file name...
> configure: error: Fortran 77 compiler cannot create executables
as clear as it can be: you do not have a working fortran 77
compiler
P.
---
Paolo Giannozzi, Dept of Chemistry&Physic
Look weird, you have no fortran compiler. Check the $PATH to see if it
is correct.
--
Duy Le
PhD Student
Department of Physics
University of Central Florida.
"Men don't need hand to do things"
On Wed, Jan 5, 2011 at 9:42 AM, Paolo Giannozzi
wrot
Dear pwscf users,
I have been trying to install the code "espresso-3.2.3" on my computer (Intel
i32 - Ubuntu).
I have Intel compilers (ifort 10.1.008), (icc 10.1.008), and mkl lib (
10.0.011 ).
When I issue ./configure , every things are OK. (configure: success).
However, when I run (make al
On Nov 26, 2007, at 21:47 , ZEYAD ALAHMED wrote:
> [...] -lmkl_lapack -L/opt/intel/mkl/10.0.011/lib/32 -lmkl_ia32 -
> lguide -lpthread -lfftw
> /opt/intel/mkl/10.0.011/lib/32/libmkl_lapack.so: undefined
> reference to `mkl_serv_load_fun'
> /opt/intel/mkl/10.0.011/lib/32/libmkl_lapack.so: undefi
> On Nov 26, 2007, at 21:47 , ZEYAD ALAHMED wrote:
>
>> [...] -lmkl_lapack -L/opt/intel/mkl/10.0.011/lib/32 -lmkl_ia32 -
>> lguide -lpthread -lfftw
>> /opt/intel/mkl/10.0.011/lib/32/libmkl_lapack.so: undefined
>> reference to `mkl_serv_load_fun'
>> /opt/intel/mkl/10.0.011/lib/32/libmkl_lapack.so: u
Dear all,
Both methods suggested below did not help. The problem has not been solved yet.
Any idea!
Zeyad Alahmed, PhD
> Date: Tue, 27 Nov 2007 14:38:14 +
> From: nazari at iasbs.ac.ir
> To: pw_forum at pwscf.org
> Subject: R
On Nov 27, 2007, at 19:05 , ZEYAD ALAHMED wrote:
> Both methods suggested below did not help. The problem has not been
> solved yet.
>>> You might try Axel's advice for newer MKL:
...this was the first suggestion...
>>> If this doesn't work, please read the instructions on how to use
>>> yo
Adding "-lmkl_sequential" may work.
libmkl_sequential.so:00145340 T mkl_serv_load_fun
On Nov 27, 2007 8:38 AM, wrote:
> > On Nov 26, 2007, at 21:47 , ZEYAD ALAHMED wrote:
> >
> >> [...] -lmkl_lapack -L/opt/intel/mkl/10.0.011/lib/32 -lmkl_ia32 -
> >> lguide -lpthread -lfftw
> >> /opt/int
On Nov 27, 2007, at 20:36 , Jeongnim Kim wrote:
> Adding "-lmkl_sequential" may work.
>
> libmkl_sequential.so:00145340 T mkl_serv_load_fun
have fun loading mkl :-(
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216,
Hi, All
I am installing espresso-4.1.3 in intel cluster. I have installed the latest
intel compiler(v11.069) and MKL(the same as compiler).
I compiled with configure like this: ./configure -enable-shared
LIBDIRS="/home/software/intel/Compiler/11.1/069/lib/intel64
/home/software/intel/Compiler/11.1
> Hi, All
> I am installing espresso-4.1.3 in intel cluster. I have installed the
> latest
> intel compiler(v11.069) and MKL(the same as compiler).
> I compiled with configure like this: ./configure -enable-shared
> LIBDIRS="/home/software/intel/Compiler/11.1/069/lib/intel64
> /home/software/intel
Dear Friends,I am trying to install QE on my i7/ Windows 10 computer through
Virtual box/Ubuntu so that I can use more than one processor. I found some
instructions on the forum
(http://qe-forge.org/pipermail/pw_forum/2016-August/110757.html) and tried to
follow them.I have already installed f
Hello,
i have a problem installing Quantum Espresso on my Mac Intel (MacBook
Pro). I'm running Inter Fortran Compiler 10.1 and i installed the new
gcc GNU compiler 4.3 from http://hpc.sourceforge.net/. For the last i
just updated the Developer tools to the last version.
The automatic conf
Hi Riccardo,
it seems your problem is related to the building of .a libraries,
more problably due to "ar", instead of "ranlib"...
I sort of remeber I got a similar problem on intel Mac, and the solution
was to set AR and ARFLAGS to some standard values (in my case they
where set in a different
On Nov 26, 2007, at 15:01 , riccardo at fcs.it wrote:
> ipo: warning #11023: file format not recognized for ../flib/flib.a
> ipo: warning #11023: file format not recognized for ../iotk/src/
> libiotk.a
you have "leftover" libraries from a previous compilation.
"make clean" and re-compile
Paolo
Dear Amar,
I seriously doubt that you will be able to use GPU acceleration in a
Virtual machine, and even if you could, a desktop-grade video card is
not of much use, especially since it is already used by the desktop
environment.
I would recommend you stick with the normal version of the code
Hello,
I am currently trying to install Quantum Espresso on a 20-processor Apple MAC
XServe minicluster together with a student.? We are able to get the serial
version installed and the executable running but have had no luck up to now
with the parallel installation.?
Does anybody have any e
Dear Mark,
Although I am no MacOs expert, I think more people will be able to help you
if you can attach the output of the configure script, and/or the error you
are experiencing in the compiled binary, naively assuming that the OS X
still has something remaining from its BSD roots.
Best,
Baris
Dear Mark,
from my experience I would say that there is not much difference in
installing QE on a
multicore Mac with OSX or on a Linux machine if the environment is sane and
properly
configured (including shell, compilers, libraries, MPI, ...).
At least I have tried on a dual core Macbook w
Dear all,
I found below error for installation of epw (make epw ) in QE-6.0-beta
version. can any one suggest me the way to install
/mpif90 ../wannier_prog.F90 constants.o io.o utility.o parameters.o
hamiltonian.o overlap.o kmesh.o disentangle.o wannierise.o plot.o
transport.o /home/saint/Softwa
Dear All,
I am trying to install quantum espresso 4.2.1 in my Ubuntu 12.04 64 bits
devise.
when trying $./configure I get the following error
configure: error: in `/home/amel/espresso-4.2.1':
> configure: error: linking to Fortran libraries from C fails
> See `config.log' for more details.
I h
Hello Kondaiah,
if you type "make" it tells you what you can build
* * * * * * THIS IS A BETA RELEASE * * * * * *
to install Quantum ESPRESSO, type at the shell prompt:
./configure [--prefix=]
make [-j] target
where target identifies one or multiple CORE PACKAGES:
pw b
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