On Tue, Jul 03, 2012, Yubo Fan wrote:
>
> I recently compiled Amber 11 and 12 on our new Opteron server.
> Everything works fine except pmemd.MPI of Amber 11.
"Obvious" workaround: don't use pmemd.MPI from Amber11. I don't think it has
any functionality not present in the Amber12 version.
If you are curious, edit the config.h file and look at the PMEMD_* flags,
especially PMEMD_FOPTFLAGS and PMEMD_COPTFLAGS. See what is different between
Amber11 and Amber12; consider copying the flags from Amber12 to the Amber11
config.h file.
....dac
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Received on Tue Jul 03 2012 - 05:00:02 PDT
