Dear Professor Giannozzi, I tried to decrease the value of npool and mixing_nidm, there are still some errors like 02/28/2014 21:29:09| main||W|job 233902 exceeds job hard limit "h_vmem" of queue (6573314048.00000 > limit:6442450944.00000) - sending SIGKILL
And the system is not that large(32 atoms, 400 nband, 8*8*8 kpoints) which is run in 128 cores. I think you are probably right that QE is trying to allocate a large array somehow. On Fri, Feb 28, 2014 at 10:35 AM, Paolo Giannozzi <paolo.giannozzi at uniud.it>wrote: > On Fri, 2014-02-28 at 09:12 -0600, Peng Chen wrote: > > > I think it is memory, because the error message is like: > > : 02/27/2014 14:06:20| main|zeta27|W|job 221982 exceeds job hard > > limit "h_vmem" of queue (2871259136.00000 > limit:2147483648.00000) - > > sending SIGKILL > > there are a few hints on how to reduce memory usage to the strict > minimum here: > > http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html#SECTION000600100000000000000 > If the FFT grid is large, reduce mixing_ndim from its default value (8) > to 4 or so. If the number of bands is large, distribute nbnd*nbnd > matrices using "-ndiag". If you have many k-points, save to disk with > disk_io='medium'. The message you get: "2871259136 > limit:2147483648" > makes me think that you crash when trying to allocate an array whose > size is at least 2871259136-2147483648=a lot. It shouldn' be difficult > to figure out where such a large array comes from > > Paolo > > > > > > I normally used h_stak=128M, it is working fine. > > > > > > > > > > > > > > On Fri, Feb 28, 2014 at 7:30 AM, Paolo Giannozzi > > <paolo.giannozzi at uniud.it> wrote: > > On Thu, 2014-02-27 at 17:30 -0600, Peng Chen wrote: > > > P.S. Most of the jobs failed at the beginning of scf > > calculation, and > > > the length of output scf file is zero. > > > > > > are you sure the problem is the size of the RAM and not the > > size of > > the stack? > > > > P. > > > > > > > > > > > > > On Thu, Feb 27, 2014 at 5:09 PM, Peng Chen > > <pchen229 at illinois.edu> > > > wrote: > > > Dear QE users, > > > > > > > > > Recently, our workstation is updated and there is a > > hard limit > > > on memory (2G per core). Some of QE jobs are > > constantly failed > > > (not always) because one of the MPI processes > > exceeded the RAM > > > limit and was killed. I am wondering if there is a > > way to > > > distribute using memory more evenly in every core. > > > > > > > > > > > _______________________________________________ > > > Pw_forum mailing list > > > Pw_forum at pwscf.org > > > 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 > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > 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 > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140301/5383e480/attachment.html
