Hi, I am a Phd student studying polymer membranes.
I have installed Gromacs version 4.5.2 on our department cluster and attempted
to run a simulations on a DPPC bilayer membranes taken from the tielleman
website.
I have set the system up in an NPT ensemble using a semi-isotropic pressure
Selina Nawaz skrev 2011-03-02 11.54:
Hi, I am a Phd student studying polymer membranes.
I have installed Gromacs version 4.5.2 on our department cluster and
attempted to run a simulations on a DPPC bilayer membranes taken from
the tielleman website.
I have set the system up in an NPT ensemble
On 2/03/2011 11:37 PM, Erik Marklund wrote:
Selina Nawaz skrev 2011-03-02 11.54:
Hi, I am a Phd student studying polymer membranes.
I have installed Gromacs version 4.5.2 on our department cluster and
attempted to run a simulations on a DPPC bilayer membranes taken from
the tielleman
Hi,
I have been trying to run Gromacs 4.5.3 parallel simulations using openmpi
1.4.2. From my understanding, mdrun_mpi is not used in this version of Gromacs.
Our system administrator told me that all mpi related options have been turned
on while installing Gromacs. With either commands:
mdrun
On 14/12/2010 7:48 AM, Te, Jerez A., Ph.D. wrote:
Hi,
I have been trying to run Gromacs 4.5.3 parallel simulations using
openmpi 1.4.2. From my understanding, mdrun_mpi is not used in this
version of Gromacs.
I don't understand what (you think) you mean. You can use thread-based
: [gmx-users] mpi run in Gromacs 4.5.3
On 14/12/2010 7:48 AM, Te, Jerez A., Ph.D. wrote:
Hi,
I have been trying to run Gromacs 4.5.3 parallel simulations using
openmpi 1.4.2. From my understanding, mdrun_mpi is not used in this
version of Gromacs.
I don't understand what (you think) you mean
option
will be printed if you issue mdrun -h.
-Justin
Thanks, JT
-Original Message- From: gmx-users-boun...@gromacs.org on behalf of
Mark Abraham Sent: Mon 12/13/2010 4:38 PM To: Discussion list for GROMACS
users Subject: Re: [gmx-users] mpi run in Gromacs 4.5.3
On 14/12/2010 7:48 AM, Te
-configured MPI compiler and
environment for it to work
Mark
Thanks,
JT
-Original Message-
From: gmx-users-boun...@gromacs.org on behalf of Mark Abraham
Sent: Mon 12/13/2010 4:38 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] mpi run in Gromacs 4.5.3
On 14/12/2010 7:48
8 matches
Mail list logo