Hi Shahzeb,
Sorry, I should have been more precise.
The branch we use is computecanada-master
Recipes with the following toolchains are the ones we use :
Intel compiler : iccifort, iimkl, iimklc, iomkl, iomklc, iompi, iompic
GCC compiler : GCC, gcccuda, gmkl, gmklc, gomkl, gompi
Maxime
On 17-08-07 10:56, Siddiqui, Shahzeb wrote:
Hi Maxime,
It would be helpful to know which easyconfig file works for you for
NWChem, Amber, OpenBabel, NAMD, and GAMESS-US. I checked out the repo,
and I don’t know if there has been any changes. You have several
branches so I am not sure which one I should be looking at.
Regards,
*From:*easybuild-requ...@lists.ugent.be
[mailto:easybuild-requ...@lists.ugent.be] *On Behalf Of *Maxime
Boissonneault
*Sent:* Friday, August 4, 2017 7:12 PM
*To:* Easybuild
*Subject:* [EXTERNAL] Re: [easybuild] NWChem, Amber, OpenBabel, NAMD,
GAMESS
Hi Shahzeb,
Maybe not quite the same toolchains, but have a look at
https://github.com/computecanada/easybuild-easyconfigs
<https://github.com/computecanada/easybuild-easyconfigs>
We have a recipe for each of those, though we have not merged them
because we don't use the same kind of config as upstream.
Maxime
On août 4, 2017 at 4:39 PM, <Shahzeb Siddiqui
<mailto:shahzeb.siddi...@pfizer.com>> wrote:
Hello,
I am looking for an easyconfig file for the following apps build with
either intel-2017 or foss-2016b toolchain. I am having trouble
building these apps, I don’t see a PR or any issue request to help me
figure out this issue. If you have figured this out, please send a PR
or share your easyconfig file.
Thanks
Shahzeb Siddiqui
HPC Linux Engineer
B2220-447.2
Groton, CT
--
---------------------------------
Maxime Boissonneault
Analyste de calcul - Calcul Québec, Université Laval
Président - Comité de coordination du soutien à la recherche de Calcul Québec
Team lead - Research Support National Team, Compute Canada
Instructeur Software Carpentry
Ph. D. en physique
