4.
Missing test in RC5 and master.
==============================================================
cd 2048_wat_gem && ./Run.2048_wat_MCbar_gem.pmemd.gem
/bin/sh: ./Run.2048_wat_MCbar_gem.pmemd.gem: No such file or directory
make[2]: [test.pmemd.gem.yes] Error 127 (ignored)
Run.2048_wat_MCbar_gem.pmemd.gem was added to the Makefile but file
test/2048_wat_gem/Run.2048_wat_MCbar_gem.pmemd.gem
does not exist.
commit 0cb696e32c7d00082a128ec29b93e2295e664e2b
Author: G. Andres Cisneros <andres.unt.edu>
Date: Wed Apr 4 15:36:42 2018 -0500
pmemd.gem update
On Wed, Apr 11, 2018 at 10:41:40PM -0400, Scott Brozell wrote:
> 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
On Thu, Apr 12, 2018 at 07:42:09AM -0400, David A Case wrote:
> On Wed, Apr 11, 2018, Scott Brozell wrote:
> > 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 lied...fixed the source code, (after RC5 was sent out)
> so that -DMKL doesn't affect gem. I
> think this is more in line with what Bob wants than changing the link
> command.
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Received on Thu Apr 12 2018 - 13:30:02 PDT
