Re: [gmx-users] Parellel Gromacs

2007-08-01 Thread Yang Ye
Please build gromacs with MPI-support. Check website for configuration. Regards, Yang Ye - Original Message From: "[EMAIL PROTECTED]" <[EMAIL PROTECTED]> To: Discussion list for GROMACS users Sent: Thursday, August 2, 2007 12:26:17 AM Subject: Re: [gmx-users]

Re: [gmx-users] Parellel Gromacs

2007-08-01 Thread Xavier Periole
Ask the system manager where the executables are and what are their names. I have tried using the mdrun_mpi and it can't run. It gives me this error: Failed to find the following executable: Executable: mdrun_mpi Cannot continue. Belquis I ran this command for Parellel calculation:

Re: [gmx-users] Parellel Gromacs

2007-08-01 Thread bmmothan
Hello, I have tried using the mdrun_mpi and it can't run. It gives me this error: Failed to find the following executable: Executable: mdrun_mpi Cannot continue. Belquis > > >> I ran this command for Parellel calculation: >> >> mpirun -np 2 mdrun -deffnm filename > > did you try the follow

Re: [gmx-users] Parellel Gromacs

2007-07-31 Thread Xavier Periole
I ran this command for Parellel calculation: mpirun -np 2 mdrun -deffnm filename did you try the following mpirun -np 2 mdrun_mpi -deffnm filename XAvier Thanks in advance, ___ gmx-users mailing listgmx-users@gromacs.org http://www.groma

Re: [gmx-users] Parellel Gromacs

2007-07-31 Thread Xavier Periole
you should use the mdrun_mpi probably XAvier Hi, I am not the one who built it, but it is MPI supported. Have your built the GROMACS with MPI-support? Regards, Yang Ye On 8/1/2007 4:35 AM, [EMAIL PROTECTED] wrote: Dear Gromacs users, I am trying to do Parellel calculations using Gromac

Re: [gmx-users] Parellel Gromacs

2007-07-31 Thread bmmothan
Hi, I am not the one who built it, but it is MPI supported. > Have your built the GROMACS with MPI-support? > > Regards, > Yang Ye > > On 8/1/2007 4:35 AM, [EMAIL PROTECTED] wrote: >> Dear Gromacs users, >> >> I am trying to do Parellel calculations using Gromacs on a Rocks >> cluster >> that

Re: [gmx-users] Parellel Gromacs

2007-07-31 Thread Yang Ye
Have your built the GROMACS with MPI-support? Regards, Yang Ye On 8/1/2007 4:35 AM, [EMAIL PROTECTED] wrote: Dear Gromacs users, I am trying to do Parellel calculations using Gromacs on a Rocks cluster that has MPI enabled. Has anybody encountered the following error: Program mdrun, VERSION

[gmx-users] Parellel Gromacs

2007-07-31 Thread bmmothan
Dear Gromacs users, I am trying to do Parellel calculations using Gromacs on a Rocks cluster that has MPI enabled. Has anybody encountered the following error: Program mdrun, VERSION 3.3.1 Source code file: init.c, line: 69 Fatal error: run input file RecpAntiP-cl#1-SG-consP-L0-1-G.tpr was mad