AMBER Archive (2007)

Subject: Re: AMBER: problem in xleap

From: WANG,YING (wangying_at_ufl.edu)
Date: Tue Feb 06 2007 - 19:12:54 CST

Thanks!!!!!!!!

On Tue Feb 06 18:46:29 EST 2007, Carlos Simmerling
<carlos_at_csb.sunysb.edu> wrote:

> I don't think you should use mpirun for xleap.
>
> WANG,YING wrote:
>
>> Sorry to interrupt you again..
>> I'm runing a software which is ambpdb of amber packdge. but I
>> don't know why the run time of my job is always 0:00:00 and my
>> pdb result is zero too. and there is a warnning in my output
>> file, as below.
>> | New format PARM file being parsed.
>> | Version = 1.000 Date = 02/06/07 Time = 11:40:55
>> mpirun: killing job...
>> --------------------------------------------------------------------------
>> WARNING: A process refused to die!
>>
>> Host: hpc044.local
>> PID: 4490
>>
>> This process may still be running and/or consuming resources.
>> --------------------------------------------------------------------------
>> I del my job and run again but it didn't work. I log out and log
>> in the PBS systerm again but it didn't work too........... :(
>> Could you help me?.......... Sorry, really sorry to trouble
>> you....
>>
>>
>> -- WANG,YING
>> Mechanical and Aerospace Engineering
>> University of Florida
>> Office: NEB 139
>> TEL: 001-352-846-3030
>>
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--
WANG,YING
Mechanical and Aerospace Engineering
University of Florida
Office: NEB 139
TEL: 001-352-846-3030

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