Dear All

Has anybody tried version 4.0.5 on an IBM Power6 (4.7Ghz) cluster?
We have installed the program with the following configure options (using fftw we installed separately):

./configure --with-fft=fftw2 --enable-mpi --enable-float CC=mpcc_r F77=mpxlf_r CXX=mpCC_r CFLAGS="-O3 -qarch=pwr6 -qtune=pwr6 -qcpluscmt"

It compiles and works but the performance is poor compared to our Opteron Cluster (2.6Ghz) For example with 8 procs for a small protein in water we get 5.8ns/+day compared to 9.6 ns/day on the Linux cluster, which is a bit disappointing. Since there alot of compiler options to play with we would be grateful if somebody who has already found a good set would share them with us.

best wishes
Silvia Giuliani

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to