Dear all, if you use mkl you can rely on the intel linking advisor for proper linking https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor If you open the file $MKL_ROOT/include/mkl.h you see the version number. It should be something like
#define __INTEL_MKL__ 11 #define __INTEL_MKL_MINOR__ 2 #define __INTEL_MKL_UPDATE__ 2 In the link above put your version number, OS, and other options. You should get some options in output which you should use for linking. HTH Nicola 2015-07-20 9:57 GMT+02:00 Bahadır salmankurt <[email protected]>: > Dear Mohaddeseh et co, > > installing one of the old version of mpi could solve the problem. > > 2015-07-20 10:06 GMT+03:00 Ari P Seitsonen <[email protected]>: > >> >> Dear Mohaddeseh et co, >> >> Just a note: I used to have such problems when I had compiled with >> MKL-ScaLAPACK of old version, indeed around 11.1, when I ran with more than >> four cores. I think I managed to run when I disabled ScaLAPACK. Of course >> this might be fully unrelated to your problem. >> >> Greetings from Lappeenranta, >> >> apsi >> >> >> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=- >> Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/ >> Ecole Normale Supérieure (ENS), Département de Chimie, Paris >> Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935 >> >> >> >> On Mon, 20 Jul 2015, Paolo Giannozzi wrote: >> >> This is not a QE problem: the fortran code knows nothing about nodes and >>> cores. It's the software setup for parallel execution on your machine that >>> has a problem. >>> >>> Paolo >>> >>> On Thu, Jul 16, 2015 at 2:25 PM, mohaddeseh abbasnejad < >>> [email protected]> wrote: >>> >>> Dear all, >>> >>> I have recently installed PWscf (version 5.1) on our cluster (4 nodes, >>> 32 cores). >>> Ifort & mkl version 11.1 has been installed. >>> When I run pw.x command on every node individually, for both the >>> following command, it will work properly. >>> 1- /opt/exp_soft/espresso-5.1/bin/pw.x -in scf.in >>> 2- mpirun -n 4 /opt/exp_soft/espresso-5.1/bin/pw.x -in scf.in >>> However, when I use the following command (again for each of them, >>> separately), >>> 3- mpirun -n 8 /opt/exp_soft/espresso-5.1/bin/pw.x -in scf.in >>> it gives me such an error: >>> >>> [cluster:14752] *** Process received signal *** >>> [cluster:14752] Signal: Segmentation fault (11) >>> [cluster:14752] Signal code: (128) >>> [cluster:14752] Failing at address: (nil) >>> [cluster:14752] [ 0] /lib64/libpthread.so.0() [0x3a78c0f710] >>> [cluster:14752] [ 1] >>> /opt/intel/Compiler/11.1/064/mkl/lib/em64t/libmkl_mc3.so(mkl_blas_zdotc+0x79) >>> [0x2b5e8e37d4f9] >>> [cluster:14752] *** End of error message *** >>> >>> -------------------------------------------------------------------------- >>> mpirun noticed that process rank 4 with PID 14752 on node >>> cluster.khayam.local exited on signal 11 (Segmentation fault). >>> >>> -------------------------------------------------------------------------- >>> >>> This error also exists when I use all the node with each other in >>> parallel mode (using the following command): >>> 4- mpirun -n 32 -hostfile testhost /opt/exp_soft/espresso-5.1/bin/pw.x >>> -in scf.in >>> The error: >>> >>> [cluster:14838] *** Process received signal *** >>> [cluster:14838] Signal: Segmentation fault (11) >>> [cluster:14838] Signal code: (128) >>> [cluster:14838] Failing at address: (nil) >>> [cluster:14838] [ 0] /lib64/libpthread.so.0() [0x3a78c0f710] >>> [cluster:14838] [ 1] >>> /opt/intel/Compiler/11.1/064/mkl/lib/em64t/libmkl_mc3.so(mkl_blas_zdotc+0x79) >>> [0x2b04082cf4f9] >>> [cluster:14838] *** End of error message *** >>> >>> -------------------------------------------------------------------------- >>> mpirun noticed that process rank 24 with PID 14838 on node >>> cluster.khayam.local exited on signal 11 (Segmentation fault). >>> >>> -------------------------------------------------------------------------- >>> >>> Any help will be appreciated. >>> >>> Regards, >>> Mohaddeseh >>> >>> --------------------------------------------------------- >>> >>> Mohaddeseh Abbasnejad, >>> Room No. 323, Department of Physics, >>> University of Tehran, North Karegar Ave., >>> Tehran, P.O. Box: 14395-547- IRAN >>> Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 >>> Cellphone: +98 917 731 7514 >>> E-Mail: [email protected] >>> Website: http://physics.ut.ac.ir >>> >>> --------------------------------------------------------- >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> [email protected] >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >>> >>> >>> >>> -- >>> Paolo Giannozzi, Dept. Chemistry&Physics&Environment, >>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >>> Phone +39-0432-558216, fax +39-0432-558222 >>> >>> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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