[AMBER] dist restraint

From: e p <epepgene1.gmail.com>
Date: Fri, 1 Jul 2011 22:05:30 -0700

Hello amber users
I have a problem in dist restraint
error in shell is:

One of the processes started by mpirun has exited with a nonzero exit
code. This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 4129 failed on node n0 (127.0.0.1) with exit status 1.

please see attached file and help me

Thanks
Best


On Fri, Jul 1, 2011 at 8:10 PM, e p <epepgene1.gmail.com> wrote:

> Dear David
> thanks for your attention and answer.
> Best Regards
>
>
> On Thu, Jun 30, 2011 at 5:10 AM, David A Case <case.biomaps.rutgers.edu>wrote:
>
>> On Wed, Jun 29, 2011, e p wrote:
>> >
>> > I prepare dist.RST but I cant run amber
>> >
>> > One of the processes started by mpirun has exited with a nonzero exit
>> > code. This typically indicates that the process finished in error.
>> > If your process did not finish in error, be sure to include a "return
>> > 0" or "exit(0)" in your C code before exiting the application.
>> >
>> > PID 4291 failed on node n0 (127.0.0.1) with exit status 1.
>> > please help me because I am new in amber
>>
>> In general, if you have problems, run a serial test case, not parallel.
>> In general, if you have problems, don't ask for 5 million steps with
>> ntpr=1000; ask for 10 steps with ntpr=1
>>
>> You have this in your mdin file:
>>
>> temp0=298.0,
>> jar=1,
>> /
>> &wt TYPE='DUMPFREQ', istep1=1,
>> &wt TYPE='END', /
>>
>> There is no ending "/" character for the first &wt namelist.
>>
>> ...good luck...dac
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>


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Received on Fri Jul 01 2011 - 22:30:04 PDT
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