Re: [AMBER] Fwd: Fw: Amber18 - MPI version error on HPC Cluster

From: Gustaf Olsson <>
Date: Fri, 15 May 2020 05:34:46 +0000

Although I cannot guarantee that there are no bugs or build errors, in my experience the segmentation fault error usually means that I have tried to allocate more memory then is available (RAM) for a job.

What happens if you try to run another simulation system? Has it worked before? My first suggestion would be to just use one of the smaller tutorial simulation or just build a smaller/simpler system and trying to run it. If that works, then I would suspect the error lies in the system you are trying to run and not the amber installation.

Best regards

// Gustaf

Från: Sivanandam Magudeeswaran <>
Skickat: den 15 maj 2020 06:04:53
Till: amber;
Ämne: [AMBER] Fwd: Fw: Amber18 - MPI version error on HPC Cluster

Dear Sir,

We purchased amber 18 Previous month. We have compiled Amber18 MPI version
successfully but while we running the job we are getting the error, Please
find the attached error information , compiler and MPI information. Please
help us to install amber 18.
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Received on Thu May 14 2020 - 23:00:02 PDT
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