vrange nnbf - Out of memory events?

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Just Got Here
Threads 1
Posts 3
Thanks for your answer.

I'm using the VSC3 ( http://vsc.ac.at/systems/vsc-3/ ), each node has two Intel Xeon E5-2650v2, 2.6 GHz, 8 cores and about 64 GB RAM. The cluster is running Scientific Linux with SLURM as workload manager.

NWChem is version 6.6,


Typical input and used modules:

 module load intel/16.0.2 intel-mkl/11.3 intel-mpi/5.1.1 python/2.7 nwchem/6.6

srun -N 5 -K1 --ntasks-per-node=16 nwchem BCN_sAz_TS12_lv3.nw &> BCN_sAz_TS12_lv3.nwo

I've also checked available memory on the node before loading modules and running the job:

            total       used       free     shared    buffers     cached
Mem: 66072472 1052644 65019828 28708 0 113668
-/+ buffers/cache: 938976 65133496
Swap: 0 0 0
Edited On 12:49:11 PM PDT - Thu, Sep 8th 2016 by ClickChemist


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC