On Thu, Sep 24, 2026, Mark Dixon wrote:
>
>>>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)
>>
Hi Mark: just an update here: I can indeed reproduce the problem, and I
have asked the QUICK folks to prioritize getting a fix. I forwarded them
your more complete report, omitted here.
(Sorry it has taken so long: the Amber gitlab site, which hosts our
development, has been down for technical reasons for about two weeks.)
Thanks again for reporting this.....dave
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Received on Wed Oct 07 2026 - 11:00:05 PDT
