Hi all, right, following the various suggestion and the idea about oversubscribing the node, I have started the same calculation again on 3 nodes but this time only with 3 processes on the node (started), so that will leave room for the 4th process which I believe will be started by NWChem. Has anything changed? No.
top - 10:24:06 up 21 days, 17:29, 1 user, load average: 0.25, 0.26, 0.26 Tasks: 131 total, 1 running, 130 sleeping, 0 stopped, 0 zombie Cpu0 : 4.3% us, 1.0% sy, 0.0% ni, 93.7% id, 0.0% wa, 0.0% hi, 1.0% si Cpu1 : 2.7% us, 0.0% sy, 0.0% ni, 97.3% id, 0.0% wa, 0.0% hi, 0.0% si Cpu2 : 0.7% us, 0.0% sy, 0.0% ni, 99.3% id, 0.0% wa, 0.0% hi, 0.0% si Cpu3 : 0.0% us, 0.0% sy, 0.0% ni, 99.0% id, 1.0% wa, 0.0% hi, 0.0% si Mem: 12308356k total, 5251744k used, 7056612k free, 377052k buffers Swap: 24619604k total, 0k used, 24619604k free, 3647568k cached PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND 29017 sassy 15 0 3921m 1.7g 1.4g S 3 14.8 384:50.34 nwchem 29019 sassy 15 0 3920m 1.8g 1.5g S 2 15.4 379:26.55 nwchem 29018 sassy 15 0 3920m 1.8g 1.5g S 1 15.5 380:31.15 nwchem 29021 sassy 15 0 2943m 1.7g 1.7g S 1 14.9 42:33.81 nwchem <- process started by NWChem I suppose As Reuti pointed out to me, NWChem is using Global Arrays internally and only MPI for communication. I don't think the problem is the OpenMPI I have. I could upgrade to the latest, but that means I have to re-link all the programs I am using. Could the problem be the GA? All the best Jörg -- ************************************************************* Jörg Saßmannshausen Research Fellow University of Strathclyde Department of Pure and Applied Chemistry 295 Cathedral St. Glasgow G1 1XL email: jorg.sassmannshau...@strath.ac.uk web: http://sassy.formativ.net Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html _______________________________________________ Beowulf mailing list, Beowulf@beowulf.org sponsored by Penguin Computing To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf
