Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-14 Thread Sander Pronk
On 14 Oct 2010, at 05:49 , Sikandar Mashayak wrote: Recently I installed gromacs4.5.1 without mpi support on my workstation with 8 cores using cmake and make -j 8, make install commands ( as suggested on installation instructions). Now when I do mdrun it automatically utilizes all the

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-14 Thread Sikandar Mashayak
hey thanks Sander for bringing my attention to -nt option.. ;) -- sikandar On Thu, Oct 14, 2010 at 6:08 AM, Sander Pronk pr...@cbr.su.se wrote: On 14 Oct 2010, at 05:49 , Sikandar Mashayak wrote: Recently I installed gromacs4.5.1 without mpi support on my workstation with 8 cores using

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Mark Abraham
13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server To: gmx-users@gromacs.org mailto:gmx-users@gromacs.org Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Mark Abraham
at 12:57 PM, Mark Abraham mark.abra...@anu.edu.au mailto:mark.abra...@anu.edu.au wrote: - Original Message - From: Sathish sathisbioi...@gmail.com mailto:sathisbioi...@gmail.com Date: Wednesday, October 13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Sathish
installation problem @ RHEL5.5 server To: gmx-users@gromacs.org Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After gromacs 4.5.1 installation did make tests and make links. Finally got message GROMACS

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread David van der Spoel
Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server To: gmx-users@gromacs.org mailto:gmx-users@gromacs.org Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also installed openmpi-1.2.8, fftw-3.2.2 and gsl

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Sathish
] Gromacs installation problem @ RHEL5.5 server To: gmx-users@gromacs.org mailto:gmx-users@gromacs.org Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Justin A. Lemkul
...@gmail.com mailto:sathisbioi...@gmail.com mailto:sathisbioi...@gmail.com mailto:sathisbioi...@gmail.com Date: Wednesday, October 13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Sathish
...@gmail.com mailto:sathisbioi...@gmail.com Date: Wednesday, October 13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server To: gmx-users

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Sikandar Mashayak
...@gmail.com mailto:sathisbioi...@gmail.com mailto:sathisbioi...@gmail.com Date: Wednesday, October 13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-13 Thread Sathish
mailto:sathisbioi...@gmail.com Date: Wednesday, October 13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server To: gmx-users@gromacs.org mailto:gmx-users

[gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-12 Thread Sathish
Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After gromacs 4.5.1 installation did make tests and make links. Finally got message GROMACS is installed under /root/software and binary executable installed

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-12 Thread Mark Abraham
- Original Message - From: Sathish sathisbioi...@gmail.com Date: Wednesday, October 13, 2010 14:31 Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server To: gmx-users@gromacs.org Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also

Re: [gmx-users] Gromacs installation problem @ RHEL5.5 server

2010-10-12 Thread Sathish
, 2010 14:31 Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server To: gmx-users@gromacs.org Dear all, I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After gromacs 4.5.1 installation did make tests