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
