Dear Sandgren, Thanks a lot, The siesta compiled by me is the lastest release, i.e., siesta-3.2-pl3. All of the stuff used for my compulations are attached here, thanks again.
Regards 2014/1/2 Åke Sandgren <ake.sandg...@hpc2n.umu.se> > On 01/02/2014 11:08 AM, Hongyi Zhao wrote: > >> Hi all, >> >> I compiled openmpi-1.6.5 with ifort-14.0.0, then I use the mpif90 >> wrapper of openmpi to compile the siesta package - a DFT package, >> obtain from here:http://departments.icmab.es/leem/siesta/ . >> >> After I successfully compile the siesta package, then I use it to do >> some compuations like this: >> >> $ mpirun -np 2 transiesta < INPUT.fdf > OUTPUT.fdf >> >> In this phase, I meet the followig error: >> >> **************** >> forrtl: severe (174): SIGSEGV, segmentation fault occurred >> Image PC Routine Line >> Source >> transiesta 00000000019A8A59 Unknown Unknown >> Unknown >> transiesta 00000000019A73D0 Unknown Unknown >> Unknown >> >> I cann't figure out the reason for this issue, any hints will be >> highly appreciated. >> > > Can you give me the INPUT.fdf and i can try running it with our build > (which contains a bunch of bugfixes for siesta/transiesta) > > -- > Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden > Internet: a...@hpc2n.umu.se Phone: +46 90 7866134 Fax: +46 90 7866126 > Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se > _______________________________________________ > users mailing list > us...@open-mpi.org > http://www.open-mpi.org/mailman/listinfo.cgi/users > -- Hongyi Zhao <hongyi.z...@gmail.com> Xinjiang Technical Institute of Physics and Chemistry Chinese Academy of Sciences GnuPG DSA: 0xD108493
angr8-transiesta.tar.gz
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