[AMBER-Developers] pmemd.gem

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Wed, 11 Apr 2018 22:41:40 -0400

Hi,

1.
da8a96182332ca9e37ae942f83bc3ae45c8cebe2
should be in the release as it corrects a typo in
src/pmemd.gem/src/Makefile

2.
That file may have other problems; for example it uses pmemd.gem
not pmemd.gem$(SFX)

3.
I cannot build pmemd.gem with
./configure -mkl -gem intel
version 16.0.3 (gcc version 4.8.5 compatibility)
===
ipo: warning #11021: unresolved vdexp_
===

It is fixed by adding -mkl=sequential to the link command, but
at the wiki DAC wrote that it was built with
./configure -noX11 -gem -mkl intel
version 17.0.4

I am trying other intel versions.

scott

_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Wed Apr 11 2018 - 20:00:02 PDT
Custom Search