Hello,
Has anybody the same problem that I have with pgi/17.10?
My serial build fails (on centos 7.2):
UPDATING build/lib.linux-x86_64-2.7/parmed/_version.py
set build/lib.linux-x86_64-2.7/parmed/_version.py to '3.0.0+57.g74a84d30'
running build_ext
building 'parmed.amber._rdparm' extension
pgcc -fno-strict-aliasing -g -O2 -DNDEBUG -g -fwrapv -O3 -Wall
-Wstrict-prototypes -fPIC
-I/projects/ese86/fzh45/amber-dev/RC4/pgi/amber/AmberTools/src/parmed/src
-I/home/ese86/fzh45/amber17/miniconda/include/python2.7 -c
src/_rdparm.cpp -o build/temp.linux-x86_64-2.7/src/_rdparm.o
pgcc-Error-Unknown switch: -fno-strict-aliasing
pgcc-Error-Unknown switch: -fwrapv
pgcc-Error-Unknown switch: -Wall
pgcc-Error-Unknown switch: -Wstrict-prototypes
error: command 'pgcc' failed with exit status 1
make[2]: *** [parmed] Error 1
It seems that at some point, it thinks that it is gcc instead of pgcc.
Gerald.
On 04/02/2018 05:17 PM, David A Case wrote:
>
> Hi everyone:
>
> You can get the third release candidate (RC3) tarballs here:
>
> ambermd.org/downloads/AmberTools18.31mar18.tar.bz2.rccjlm
> ambermd.org/downloads/Amber18.31mar18.tar.bz2.rccjlm
>
> Strip off the final suffix, untar and test.
>
> You can see test summaries here:
>
> ambermd.org/pmwiki/pmwiki.php/Main/Amber18Test
>
> Go ahead and add your own (editing password is "pakrules").
>
> Notes:
>
> 1. This candiate has only minor changes from the last one (mcwat, FEW
> test case fixes), so don't feel obliged to spend time re-running what
> you did for RC3. Your time would be better spent proofing the manual,
> which has a lot of changes from RC3.
>
> 2. The situation with GNU compilers on CPU is pretty good, so
> concentrate on:
>
> a. parallel tests with Intel or PGI compilers
> b. cuda tests: please list your nvcc version on type of GPU
> c. cuda tests with the -afe option to configure (I don't think
> anyone has done this yet, so there may well be problems.)
>
> 3. Right now, I am focussing on the legacy Makefile build system. But
> I encourage you to test the CMake build. Do this:
>
> cd amber18 # where you untarred stuff
> ./configure_cmake --full-help
>
> Then pick the options you want.
>
> If you see cmake-specific problems, please post those comments here:
>
> github.com/Amber-MD/cmake-buildscripts/issues/108
>
>
> ...thanks!...dac
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
____________________________________________________________________________
Prof. Gerald MONARD
Directeur du mésocentre EXPLOR
Université de Lorraine
Boulevard des Aiguillettes B.P. 70239
F-54506 Vandoeuvre-les-Nancy, FRANCE
e-mail : Gerald.Monard.univ-lorraine.fr
phone : +33 (0)372.745.279
mobile : +33 (0)678.006.443
web : http://www.monard.info
____________________________________________________________________________
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Mon Apr 02 2018 - 12:00:02 PDT
