Re: [AMBER] running sander.MPI :forrtl: severe (174): SIGSEGV, segmentation fault occurred

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From: 周丽萍 <s19-zhouliping.simm.ac.cn>
Date: Wed, 21 Apr 2021 20:29:55 +0800 (GMT+08:00)

I have set ntpr=1,but the out file has nothing. The attachments are mdout files, anneal6.out for sander.MPI and anneal5.out for sander.

> -----原始邮件-----
> 发件人: "David A Case" <david.case.rutgers.edu>
> 发送时间: 2021-04-21 20:13:52 (星期三)
> 收件人: "AMBER Mailing List" <amber.ambermd.org>
> 抄送:
> 主题: Re: [AMBER] running sander.MPI :forrtl: severe (174): SIGSEGV, segmentation fault occurred
>
> On Wed, Apr 21, 2021, 周丽萍 wrote:
>
> >Hello, I want to run sander.MPI to execute simulated annealling
> >protocol. The parameters are as follows.
> >
> >
> >But it always shows error like this:
> >
> >forrtl: severe (174): SIGSEGV, segmentation fault occurred
>
> Have you examined the mdout file to look for problems? Since this runs in
> serial mode, can you run a short simulation in both serial and parallel
> modes to look for differences in the two mdout files? Set ntpr=1 to get more
> information.
>
> ....dac
>
>
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</amber.ambermd.org></david.case.rutgers.edu>

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application/octet-stream attachment: anneal5.out

application/octet-stream attachment: anneal6.out

Received on Wed Apr 21 2021 - 06:00:03 PDT