Dear Mohan,
Which fortran version are you using?
Most likely you need to update it.
2018-02-05 11:40 GMT+01:00 Dr. Mohan L. Verma :
>
>
> Dear Siesta Users and developers
>
>
>
> I am trying to compile tbtrans using netcdf4 in siesta4.1b2. I have
> successfully installed NetCDF4 using the meth
Dear Siesta Users and developers
I am trying to compile tbtrans using netcdf4 in siesta4.1b2. I have
successfully installed NetCDF4 using the method mentioned in the link :
http://www.mail-archive.com/siesta-l@uam.es/msg09275.html
I am simply using gfortran in compilation. My arch.make file
Add ", save" to the list of attributes of the variable "spin" in the source.
This is fixed in a later revision and will be available in the 4.1-b2
release.
2016-10-25 16:07 GMT+02:00 T. Liu :
> Dear Nick,
>
> Thanks.
> I tried, but it gave me same error message.
>
> I think I need to try 4.1-b1,
Dear Nick,
Thanks.
I tried, but it gave me same error message.
I think I need to try 4.1-b1, So I used the same arch file to compile
4.1-b1, but met the following error message. Could you please suggest
any solution? I searched, but didn't find any useful information.
mpifc -c -g -O3 `Fo
With intel compilers you should probably not compile with so high
optimizations. First try and lower the optimization (-O2 for instance).
2016-10-18 15:28 GMT+02:00 T. Liu :
> Dear Nick,
> Thanks for your help.
>
> I compiled it again without "~", It works!
> Instead, I met an old error message w
Dear Nick,
Thanks for your help.
I compiled it again without "~", It works!
Instead, I met an old error message which I have already posted before,
but haven't got an answer. There is no DM file in the folder.
the bottom of output file
Setting up quadratic distribution...
ExtMesh (bp) on 0 =
>From the output of siesta, it is compiled in parallel, (it says PARALLEL).
It may be that you are not using the same mpirun as that shipped with mpifc?
Maybe you should be using mpiifort?
These are long shots... but...
Secondly, it may be a problem with the scheduler and the "~" in the path.
Coul
Dear Nick,
Thanks for your reply.
it is
mpirun -ppn $mpi_tasks_per_node -np $np $application $options
translated as
mpirun -ppn 16 -np 16 /home/tl439/~siesta-maint/siesta/trunk/Obj/siesta
< h2o.relax.fdf > h2o.relax.out
I also tried
mpirun -np 16 /home/tl439/~siesta-maint/siesta/trunk/Obj/si
Please show us your execution command line.
2016-10-18 14:08 GMT+02:00 T. Liu :
> Dear Nick,
>
> I followed your suggestion, and there is no error for the compilation.
> But I only can run a serial mode on a parallel version.
>
> here is a piece of the top of output file
>
>
>
>
Dear Nick,
I followed your suggestion, and there is no error for the compilation.
But I only can run a serial mode on a parallel version.
here is a piece of the top of output file
***
***
Dera Nick,
Thanks for your help. It works by adding .c and using latest SCALAPCK.
Regards,
Tao
On 2016-10-14 11:40, Nick Papior wrote:
Try add .c to the SUFFIXES list.
2016-10-14 12:32 GMT+02:00 T. Liu :
Dear all,
I can compile 4.0 with the following arch.make
arch.make
Try add .c to the SUFFIXES list.
2016-10-14 12:32 GMT+02:00 T. Liu :
> Dear all,
>
> I can compile 4.0 with the following arch.make
>
> arch.make
>
> #
> # Copyright (C) 1996-2016 The SIESTA group
> # This file is distributed under the terms of the
> # GNU G
Dear all,
I can compile 4.0 with the following arch.make
arch.make
#
# Copyright (C) 1996-2016 The SIESTA group
# This file is distributed under the terms of the
# GNU General Public License: see COPYING in the top directory
# or http://www.gnu.org/copyleft/
hello users.
while compiling siesta 4.0b serially i get this error
collect2: ld returned 1 exit status
make: *** [siesta] Error 1
if u have any solution kindly let me know. your answer are highly valuable
to me.
--
warm regards
amrish sharma
For a solution, please see this:
https://bugs.launchpad.net/siesta/+bug/1622526
Thanks for reporting it.
2016-09-09 17:03 GMT+02:00 Jariyanee Prasongkit <
jariyanee.prasong...@gmail.com>:
> Dear Siesta team,
>
> I am trying to compile Siesta 4.1 (b1), and found the error of rdiag_mrrr.F
>
> rdi
Dear Siesta team,I am trying to compile Siesta 4.1 (b1), and found the error of rdiag_mrrr.Frdiag_mrrr.o: In function `m_rdiag_mrrr_mp_rdiag_mrrr_':/root/SW/siesta-4.1-b1/Src/rdiag_mrrr.F:(.text+0x109f): undefined reference to `pdsyevr_'/root/SW/siesta-4.1-b1/Src/rdiag_mrrr.F:(.text+0x136f): undefi
Thanks Zeila Zanolli
On Fri, Jul 1, 2016 at 1:34 PM, Zeila Zanolli
wrote:
> I don't know how intel2011 will work with the latest siesta version [I
> am not trying all the compilers just for fun :) ]. You can try and see
> what happens.
> I can tell that for my case of study on JURECA the gfortra
I don't know how intel2011 will work with the latest siesta version [I
am not trying all the compilers just for fun :) ]. You can try and see
what happens.
I can tell that for my case of study on JURECA the gfortran worked
well, so this could be a wise alternative to ifort.
best
Z
On Fri, Jul 1
Thanks a lot Zeila Zanolli. We don't have Intel 2015. What about Intel
2011, is this version of Intel campatible with siesta?
On Fri, Jul 1, 2016 at 3:27 AM, Zeila Zanolli
wrote:
> I mean: on JURECA
>
> http://www.fz-juelich.de/ias/jsc/EN/Expertise/Supercomputers/JURECA/JURECA_node.html
> siest
I mean: on JURECA
http://www.fz-juelich.de/ias/jsc/EN/Expertise/Supercomputers/JURECA/JURECA_node.html
siesta compiles but does not run with intel2016
siesta compiles and runs well with intel2015 and runs even better with
gfortran. (personal experience)
cheers
z
On Thu, Jun 30, 2016 at 11:54 PM,
Yes. There are issues with the intel 2016 compiler.
Try to recompile with intel 2015 or gfortran.
Cheers,
Zeila
---
Dr. Zeila Zanolli
RWTH Aachen, Institute for Theoretical Solid State Physics
ETSF Research Team Leader (http://www.etsf.
Hi,
I have installed the parallel version using intel 2016 and intelmpi
libraries. When I am giving a test run for ZnO, it is giving an error. *Both
error file and arch.make are attached herewith*. Please find the files. I
don't understand why this error has come.
Has anyone faced the same error
Please follow these instructions so that we may be able to help you:
https://answers.launchpad.net/siesta/+faq/2779
2016-06-28 11:45 GMT+02:00 Anju Saroha :
> Dear Nick,
>
> Same error is coming with the new version also. What can be a possible way
> out?
>
>
>
> On Tue, Jun 28, 2016 at 2:35 PM,
Dear Nick,
Same error is coming with the new version also. What can be a possible way
out?
On Tue, Jun 28, 2016 at 2:35 PM, Anju Saroha wrote:
> Thanks a lot Nick.
>
>
> On Tue, Jun 28, 2016 at 2:28 PM, Nick Papior wrote:
>
>> No, currently LDA+U is only in the trunk series.
>>
>> 2016-06-28
Thanks a lot Nick.
On Tue, Jun 28, 2016 at 2:28 PM, Nick Papior wrote:
> No, currently LDA+U is only in the trunk series.
>
> 2016-06-28 10:49 GMT+02:00 Anju Saroha :
>
>> Dear Nick,
>>
>> That's true. Still may I know whether U is there in any series?
>>
>>
>> Thanks
>>
>> On Tue, Jun 28, 2016
No, currently LDA+U is only in the trunk series.
2016-06-28 10:49 GMT+02:00 Anju Saroha :
> Dear Nick,
>
> That's true. Still may I know whether U is there in any series?
>
>
> Thanks
>
> On Tue, Jun 28, 2016 at 2:13 PM, Nick Papior wrote:
>
>> Please, remark that the trunk version is a developm
Dear Nick,
That's true. Still may I know whether U is there in any series?
Thanks
On Tue, Jun 28, 2016 at 2:13 PM, Nick Papior wrote:
> Please, remark that the trunk version is a development version and it
> should be treated as such. :)
>
> 2016-06-28 10:33 GMT+02:00 Anju Saroha :
>
>> Dear
Please, remark that the trunk version is a development version and it
should be treated as such. :)
2016-06-28 10:33 GMT+02:00 Anju Saroha :
> Dear Nick,
>
> I have understood it. Now only I have checked. Thanks a lot.
>
>
>
> On Tue, Jun 28, 2016 at 1:59 PM, Nick Papior wrote:
>
>> Please follo
Dear Nick,
I need to know whether only siesta trunk has LDA+U implementation or any
series also have it?
On Tue, Jun 28, 2016 at 2:03 PM, Anju Saroha wrote:
> Dear Nick,
>
> I have understood it. Now only I have checked. Thanks a lot.
>
>
>
> On Tue, Jun 28, 2016 at 1:59 PM, Nick Papior wrot
Dear Nick,
I have understood it. Now only I have checked. Thanks a lot.
On Tue, Jun 28, 2016 at 1:59 PM, Nick Papior wrote:
> Please follow this site for the trunk version
> https://launchpad.net/siesta
> Currently, 526 is the latest version.
>
> 2016-06-28 10:24 GMT+02:00 Anju Saroha :
>
>>
Please follow this site for the trunk version
https://launchpad.net/siesta
Currently, 526 is the latest version.
2016-06-28 10:24 GMT+02:00 Anju Saroha :
> Dear Nick,
>
> In my knowledge, siesta-trunk-515 is the latest version. Is there any
> version latest than this?
>
> Thanks and regards
>
> O
Dear Nick,
In my knowledge, siesta-trunk-515 is the latest version. Is there any
version latest than this?
Thanks and regards
On Tue, Jun 28, 2016 at 12:26 PM, Nick Papior wrote:
> Could you please try the latest trunk version, there have been certain
> fixes for the LDA+U implementation.
>
>
Could you please try the latest trunk version, there have been certain
fixes for the LDA+U implementation.
If siesta still exhibits an error, please follow the steps explained here:
https://answers.launchpad.net/siesta/+faq/2779
2016-06-27 21:18 GMT+02:00 Anju Saroha :
> Dear siesta users,
>
>
Dear siesta users,
I have installed siesta-trunk-515 using intel-check make file in Src/Sys.
*It is running without any error when I am not using U (Hubbard parameter)
but the moment I am giving the U parameter, it's aborting with an error
shown below. *
Can someone please help me in resolving the
Your gfortran version may be outdated (it is 7 years old). Please try and
update your compiler.
2016-04-09 7:14 GMT+02:00 Madan Mithra. L. M :
> Hello,
>
> I am facing difficulty in compiling siesta development version 458 in
> cygwin(32bit) installed in a 64-bit PC (Windows7-Home-Basic). It give
Hello,
I am facing difficulty in compiling siesta development version 458 in
cygwin(32bit) installed in a 64-bit PC (Windows7-Home-Basic). It gives the
following error. The gfortran version is 4.3.4. Please help.
gfortran -c -g -O2 `FoX/FoX-config --fcflags` -DFC_HAVE_FLUSH
-DFC_HAVE_
On Wed, 2013-03-20 at 20:46 +0530, bedamani singh wrote:
Dear Bedamani,
> /state/partition1/home/Utpal/apps/intel/composer_xe_2013.2.146/composer_xe_2013.2.146/mpirt/bin/intel64/mpirun:
[...]
> FC=/usr/lib64/openmpi/bin/mpif90
[...]
This indicates that you are using different mpi implementation
Hi,
You're missing -DMPI directive in the FPPFLAGS env. variable.
Regards,
Roberto
On Wed, 20 Mar 2013, bedamani singh wrote:
Thanks for your kind reply. I have changed the arch.make file
accordingly and trying for last two days to compile siesta without any
success. Somehow I have comp
Thanks for your kind reply. I have changed the arch.make file
accordingly and trying for last two days to compile siesta without any
success. Somehow I have complied it, but it only runs in serial mode.
And when I give the command [mpirun -np 10 ./siesta < File.fdf >
File.out], the following error
Please clear out your Obj dir of all directories and run
../Src/obj_setup.sh again.
You also need to alter your arch.make file to actually use MPI. f95 is, as
far as I know, a standard Fortran compiler
and not a MPI-compliant compiler, are you using links/aliases (which would
be a bad idea)?
The
Try and search the mailing list. It has been covered several times.
Also try and search wikipedia etc. It is a "common problem". :)
Kind regards Nick
2012/11/20 liuyunlong0902
> Dear Nick,
> Sorry, I have no idea how to link against the lapack libraries,
> would you please explain in d
Dear Nick,
Sorry, I have no idea how to link against the lapack libraries, would
you please explain in detail? Thanks again.
Regards,
--
Liu
At 2012-11-20 15:20:45,"Nick Papior Andersen" wrote:
This is an error of linking, you need to link against the lapack libraries.
zgesv i
This is an error of linking, you need to link against the lapack libraries.
zgesv is a lapack routine.
Kind regards Nick
2012/11/20 liuyunlong0902
> Dear Nick,
> Thanks for your kind help! I have solved this problem, but some
> other errors emerged when 'ifort -transiesta' was going on
Dear Nick,
Thanks for your kind help! I have solved this problem, but some other
errors emerged when 'ifort -transiesta' was going on:
-
m_ts_aux_rout.o: In function `csolveg':
/home/users/zjuiseexy/siesta-trunk-424/Transiesta/m_ts_aux_rout.F:342:
That error stems from no mpi-dummy routine has been created. Simply do the
following:
Replace on line 205:
#endif
with this:
#else
subroutine dummy()
end subroutine dummy
#endif
I will correct this in the patched version.
Kind regards Nick
2012/11/19 liuyunlong0902
> Dear Nick,
>
Dear Nick,
Thanks for your help and sorry for not finding the similar question. I
have compiled the siesta successfully, but another error emerges in transiesta
compilation, I have no idea about this:
--
fortcom: Error: m_glob_sparse.F90, line 208: The statement followin
This question has been asked before, try and search for it.
It is a bug of the intel 10 compiler. However, it can be fixed by removing
the index of the lefthand side pointer assignment
c(1:Npol) => contour(1:Npol)
should be
c => contour(1:Npol)
etc. for the 3 following assignments...
Kind regards
Dear all,
I was trying to install the siesta-trunk-424 version recently. Some
error occured when I used the arch.make file to compile, but the same *.make
file can compile the siesta-trunk-421 successfully. I attached the error
information and *.make file, would anyone help me?
Best
Thanks for replies,
Deepak, I got this error message:
cellxc.F: In function ‘cellxc’:
> cellxc.F:1210: internal compiler error: Aborted
> Please submit a full bug report,
> with preprocessed source if appropriate.
> See for instructions.
> make: *** [cellxc.o] Error 1
>
2011/8/23 deepak sriniv
Hi
what errors you get while trying to make siesta or transiesta in Obj
directory using this arch.make created here
--
regards
deepak
3rd Year Under Graduate
Electronics Design and Manufacturing
IIIT (D&M),Kancheepuram
IIT Madras Campus,Chennai
Hello everyone,
I have formatted my operating system and I tried to install Siesta again.
But I got some compilation problems.
When I type *./configure* I get this:
onur@onur-desktop:~/siesta-2.0.2/Src$ ./configure
checking build system type... i686-pc-linux-gnu
checking host system type... i686
Dear all,
I am meeting an error when I compile siesta-3.0-rc2. The procedur is following,
1. sh ../Src/obj_setup.sh
2. ../Src/configure
3. make transiesta
The error message is:
/data/users/stsygw/soft/siesta-3.0-rc2/Src/m_ts_aux_rout.F:347: undefined
reference to `zgesv_'
collect2:
Dear Dr.Marcos,
Thank you so much for the help. Following ur suggestion, I could run
Siesta 3.0 with ifort 10.1
It appears like the ifort 11.1 does not compile the FoX library
correctly. I followed these steps :
* Using ifort 10.1, the FoX was compiled first.
* Using mpif90 (ifort 11.1), the ma
confg.log file from the FoX
> directory should contain some information related to the error.
>
> Success,
> Bartek
>
>
>
> From: Madan Mithra. L. M [madan.mit...@gmail.com]
> Sent: Friday, May 07, 2010 4:48 PM
> To: siesta-l@u
PM
To: siesta-l@uam.es
Subject: Re: [SIESTA-L] Compilation Error - IBM 720 Cluster / XLFortran
Thank you so much Bartek. I tried with the arch.make you had given,
with no success. The configure script ie, ../Src/configure correctly
generates the 'arch.make', but when I type '
Thank you so much Bartek. I tried with the arch.make you had given,
with no success. The configure script ie, ../Src/configure correctly
generates the 'arch.make', but when I type 'make', the FoX configure
gets activated and it is at this stage the configure fails. So, I
think it has something to d
Hello Madan,
This error has nothing to do with SIESTA itself, the compiler fails to execute
simple test program it has just built. My guess would be that there is a
problem with the installation of the xlf or inconsistency in system libraries.
I am attaching my copy of arch.make which I've used
Dear All,
I was able to compile and run Version 2.0.2 of Siesta in IBM power4 as
well as in power5 machines. However, from version 3.0 onwards, I get
the following error during make. Please help me out.
Thank you.
--
Madan,
I can't say much about the pgi compiler. However, about ifort 11, the file
sent to the list by José Torres with the changes to Siesta 3 rc1 states
EXPLICITLY that ifort 11 does not work for compiling siesta, and that users
should stick to ifort 10.x (I personally recommend 10.1). Also, if y
Dear All,
(1) I am trying to compile Siesta3 Release candidate1 using PGI
compiler (Version 10.4) and get this error :
--
pgf90 -c -g -O0`FoX/FoX-config --fcflags` /d/Comp/s339/Src/timestamp.f90
pgf90 -c -g -O0`FoX/FoX-config --fcflags` /d/Comp/s339/Src/siesta_cmlsubs.
F90
PGF
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