RE: [gmx-users] "nstlist=-1" dosen't work for parallel runs

He Berk, I've sent it to the bugzilla. Could you have a look? Thanks very much! Lanyuan From: g...@hotmail.com To: gmx-users@gromacs.org Subject: RE: [gmx-users] "nstlist=-1" dosen't work for parallel runs Date: Thu, 29 Jan 2009 23:32:43 +0100 Hi, I just tested it

RE: [gmx-users] "nstlist=-1" dosen't work for parallel runs

Hi, I just tested it and it runs fine for me with 4.0.3. Which version are you using? If it is 4.0.3, please file a bugzilla and attach the tpr file. Berk From: lulany...@msn.com To: gmx-users@gromacs.org Date: Thu, 29 Jan 2009 15:07:27 -0500 Subject: [gmx-users] "nstlist=-1" do

[gmx-users] "nstlist=-1" dosen't work for parallel runs

Hi, Again I have a problem regarding the "nstlist=-1" option and this time it's related to parallel runs. With the help from Berk, I can run my system with nstlist=-1 option and 1 cpu without any problem. However, each time when I run it using more than one cpu under MPI, the run crashes immedi