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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Received on Wed Apr 21 2021 - 05:30:04 PDT
