Re: [AMBER] Error in AMBER24 compilation with xTB

From: Timothy Giese via AMBER <amber.ambermd.org>
Date: Wed, 29 Oct 2025 13:39:31 +0000

You need to use the compiler that is compatible with your mpi installation. If you are on a compute cluster, then you likely need to load the proper combination of software modules. Every cluster is different, so you'll need to consult your cluster's documentation or support staff for more specific instructions on how to use the proper combination of compilers and mpi libraries.
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Received on Wed Oct 29 2025 - 07:00:03 PDT
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