On Sat, 5 Apr 2008, Min Seung Kyu wrote: MSK> Dear users and developers,
dear min, MSK> I compiled espresso3.2.3 on Xeon machine with Intel fortran 10.1.012 and MSK> MSK> MKL 10.0.1.014 version. Whenever I run pw.x, however, I get segementation what linux version and which release? which type of xeon cpu (check out /proc/cpuinfo)? are you running 32-bit mode or x86_64? MSK> fault message at the beginning. check out the usual recommendations with intel: - increase stack size limit. - disable MKL threads with setting the environment variable OMP_NUM_THREADS to 1. (as of version 10 MKL always tries to run multiple threads on multi cpu/core machines, regardless whether you also are running MPI or just don't want it) - try compiling with reduced optimization. MSK> Program PWSCF v.3.2.3 starts ... MSK> Today is 4Apr2008 at 21:35:35 MSK> MSK> Ultrasoft (Vanderbilt) Pseudopotentials MSK> MSK> Current dimensions of program pwscf are: MSK> MSK> ntypx = 10 npk = 40000 lmax = 3 MSK> nchix = 6 ndmx = 2000 nbrx = 14 nqfx = 8 MSK> forrtl: severe (174): SIGSEGV, segmentation fault occurred MSK> Image PC Routine Line Source MSK> pw.x 0000000000DF55B7 Unknown Unknown Unknown MSK> libpthread.so.0 0000003A0550C4F0 Unknown Unknown Unknown MSK> pw.x 0000000000DF5593 Unknown Unknown Unknown MSK> libpthread.so.0 0000003A0550C4F0 Unknown Unknown Unknown MSK> MSK> My maks.sys file contains MSK> MSK> BLAS_LIBS = -L/opt/intel/mkl/10.0.1.014/lib/em64t -lmkl_em64t -lmkl_core -lguide -lpthread where are the rest of the settings? they matter as much as the BLAS lib. what makes you think that MKL is the culprit? MSK> MSK> Please let me know what I should do. the most important thing you should do is to report problems in a way, that somebody can reproduce it. you provide some information, but it is not complete... cheers, axel. MSK> Sincerely, Min. MSK> MSK> MSK> MSK> MSK> _______________________________________________ MSK> Pw_forum mailing list MSK> Pw_forum at pwscf.org MSK> http://www.democritos.it/mailman/listinfo/pw_forum MSK> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
