Re: [AMBER] Error in AMBER24 compilation with xTB

From: Timothy Giese via AMBER <amber.ambermd.org>
Date: Wed, 29 Oct 2025 13:44:15 +0000

Actually, if you had set -DMPI=FALSE, then it shouldn't even be trying to use MPI. It makes me wonder if you should delete your build directory entirely and reconfigure cmake from a clean build directory. It may be picking up the MPI option from a previous configuration (?)

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Received on Wed Oct 29 2025 - 07:00:03 PDT
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