[gmx-developers] MDRUN hangs up in lam-7.1.4

[Igor Leontyev]

My simulations with lam-7.1.4 hang up in several minutes. Both tested gmx 
versions 4.0.5 and 4.0.7 compiled and ran in lam-7.1.4 behave in similar 
way. In mean time there is no problem running the simulations with gromacs 
compiled and ran with lam-7.0.9.

Could you confirm that the lam-7.1.4 issue exists in CentOS? What mpi 
library is better to use?



I just found similar report here

http://www.mail-archive.com/gmx-users@gromacs.org/msg18880.html