[AMBER] Ambertools26 and OpenMPI

From: Mark Dixon via AMBER <amber.ambermd.org>
Date: Mon, 21 Sep 2026 12:56:10 +0100 (BST)

Hello,

Is anyone else getting an error then building AmberTools26 with MPI on
Linux?

e.g. if I modify the cmake line in run_cmake such that -DMPI=TRUE, run
./run_cmake and then make -j64 install, I see this fatal error:

/somedirectory/ambertools26_src/AmberTools/src/sander/quick_module.F90:194:65:

   194 | call setQuickMPI(qmmm_mpi%mytaskid,qmmm_mpi%numthreads, ierr)
       | 1
Error: There is no specific subroutine for the generic ‘setquickmpi’ at (1)


I'm building with gcc/12.2 and openmpi/4.1.8.

Thanks,

Mark
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Received on Mon Sep 21 2026 - 05:00:06 PDT