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Hi Marks,<br><br> Thank you very much for your reply. I am using Wien2k_09.2 version and I have used the following<br>OPTIONS file for MPI compilation. I would like to mention that MPI works fine when I tested with an 8 atom<br>system.<br><br><br>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback<br>current:FPOPT:$(FOPT)<br>current:LDFLAGS:-L/sw/pkg/mkl/10.0/lib/em64t/<br>current:DPARALLEL:'-DParallel'<br>current:R_LIBS:-lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lsvml -lpthread<br>current:RP_LIBS:-L/sw/pkg/mkl/10.0/lib/em64t/ -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -L/home/eishfh/fftw-2.1.5-gcc/lib -lfftw_mpi -lfftw -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lsvml -lpthread<br>current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br><br><br>Thanks,<br>Fhokrul<br><br><br><br>> Date: Thu, 28 Jan 2010 07:16:37 -0600<br>> From: L-marks@northwestern.edu<br>> To: wien@zeus.theochem.tuwien.ac.at<br>> Subject: Re: [Wien] MPI segmentation fault<br>> <br>> What version of mpi are you using -- please be specific including the release.<br>> <br>> 2010/1/28 Md. Fhokrul Islam <fislam@hotmail.com>:<br>> > Dear Wien2k users,<br>> ><br>> > I am trying to do a surface supercell calculation with 96 atoms (1<br>> > k-point) using MPI. I have<br>> > used 8 processors for this job but it crashes in 1st cycle with an error<br>> > message:<br>> ><br>> > mpirun noticed that process rank 7 with PID 6532 on node mn003.mpi exited on<br>> > signal 11 (Segmentation fault).<br>> ><br>> > Since many of you have experience in running large systems with MPI, I am<br>> > wondering if<br>> > anyone can suggest me how to fix this problem.<br>> ><br>> ><br>> > Thanks,<br>> > Fhokrul<br>> ><br>> > ________________________________<br>> > Hotmail: Powerful Free email with security by Microsoft. Get it now.<br>> > _______________________________________________<br>> > Wien mailing list<br>> > Wien@zeus.theochem.tuwien.ac.at<br>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> ><br>> ><br>> <br>> <br>> <br>> -- <br>> Laurence Marks<br>> Department of Materials Science and Engineering<br>> MSE Rm 2036 Cook Hall<br>> 2220 N Campus Drive<br>> Northwestern University<br>> Evanston, IL 60208, USA<br>> Tel: (847) 491-3996 Fax: (847) 491-7820<br>> email: L-marks at northwestern dot edu<br>> Web: www.numis.northwestern.edu<br>> Chair, Commission on Electron Crystallography of IUCR<br>> www.numis.northwestern.edu/<br>> Electron crystallography is the branch of science that uses electron<br>> scattering and imaging to study the structure of matter.<br>> _______________________________________________<br>> Wien mailing list<br>> Wien@zeus.theochem.tuwien.ac.at<br>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br> <br /><hr />Hotmail: Trusted email with powerful SPAM protection. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Sign up now.</a></body>
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