Re: [gmx-users] MD run end abnormally

2006-07-02 Thread Mark Abraham
> Hi : > Mark, thanks for your advice. > > But i only use the single-processor.And the enviourment is RedHat 9.0 with > gromacs 3.3.1. >> I install GMX FFTW MPI in my own folders. And then i used a begin >> structure which performed well at other computers to test the GMX >> programme. You need a

[gmx-users] MD run end abnormally

2006-07-02 Thread 主月 ：）
 Hi :Mark, thanks for your advice. But i only use the single-processor.And the enviourment is RedHat 9.0 with gromacs 3.3.1.     And if i just use mdrun -v, the process goes well. if i use mdrun -v >& output&, the problem will occur.  what is other problem of this error Date: Sun,

[gmx-users] MD run end abnormally

2006-07-02 Thread 主月 ：）
 Hi :Mark, thanks for your advice. But i only use the single-processor.And the enviourment is RedHat 9.0 with gromacs 3.3.1. what is other problem of this error Date: Sun, 2 Jul 2006 15:17:53 +1000 (EST)From: "Mark Abraham" <[EMAIL PROTECTED]>Subject: Re: [gmx-users] MD run end abno

Re: [gmx-users] MD run end abnormally more detailed info

2006-07-02 Thread Mark Abraham
> Hi : > Mark, thanks for your advice. > > But i only use the single-processor.And the enviourment is RedHat 9.0 with > gromacs 3.3.1. OK that should be less problematic. If you are using a single-processor MPI environment, check that you've configured (and started!) that correctly. Preferably try

[gmx-users] MD run end abnormally more detailed info

2006-07-02 Thread 主月 ：）
Hi : Mark, thanks for your advice.   But i only use the single-processor.And the enviourment is RedHat 9.0 with gromacs 3.3.1.   what is other problem of this error   Date: Sun, 2 Jul 2006 15:17:53 +1000 (EST)From: "Mark Abraham" <[EMAIL PROTECTED]>Subject: Re: [gmx-users] MD run

Re: [gmx-users] MD run end abnormally

2006-07-01 Thread Mark Abraham
> Hi: > > I install GMX FFTW MPI in my own folders. And then i used a begin > structure which performed well at other computers to test the GMX > programme. > > What is strange to me is that the job can run well at begginning time but > after a while the CPU was not still busy, and the output file

[gmx-users] MD run end abnormally

2006-07-01 Thread 主月 ：）
Hi:   I install GMX FFTW MPI in my own folders. And then i used a begin structure which performed well at other computers to test the GMX programme.   What is strange to me is that the job can run well at begginning time but after a while the CPU was not still busy, and the output