Hi Kenneth
On 01/06/2016 10:47, Kenneth Hoste wrote:
OK, sorry, I have to admit I didn't actually try my suggestion myself...
The problem is that the target you're specifying must be an existing
directory currently, i.e. the file being copied can't be renamed on copy.
I need to think about whether we can alleviate that limitation (cfr.
https://github.com/hpcugent/easybuild-framework/issues/1790).
You can get around this with:
patches = [('makefile.include.crayxc_intel', 'makefile.include')]
prebuildopts = "cp makefile.include.crayxc_intel makefile.include && "
Note that you will need to clean up the 'prebuildopts' lines related to
'makefile.include' that we have in the current easyconfig file for VASP
anyway, to avoid copying 'a rch/makefile.include.linux_intel' and
patching 'makefile.include' with 'sed'...
regards,
Kenneth
Just thought I should let you know that this is now working, the final
combination of options needed was:
patches = [('makefile.include.crayxc_intel', '.')]
prebuildopts = 'cp makefile.include.crayxc_intel makefile.include && '
Thanks for all your help with this.
BTW, in working on this I noticed a bug in your CrayIntel-2015.11.eb
toolchain. This toolchain specifies a particular verison of the Intel
compiler (15.0.2.164):
--
dependencies = [
# PrgEnv version is not pinned, as Cray recommends to use the
latest (default) version
('PrgEnv-intel', EXTERNAL_MODULE),
('intel/15.0.1.133', EXTERNAL_MODULE),
('cray-libsci/13.2.0', EXTERNAL_MODULE),
('cray-mpich/7.2.6', EXTERNAL_MODULE),
]
--
In fact, the Intel compiler versions are not part of the Cray PE release
process, their version progression is decoupled from the Cray software
release schedule.
For example, we have the Nov 2015 PE release but do not have
'intel/15.0.1.133' (we have 'intel/15.0.2.164') so I had to modify this
EasyConfig file to make the installation work.
Having though about this a bit I think it makes more sense for the
'intel' module to be specified as a dependency in the VASP easyconfig
rather than in the toolchain. Could the toolchain just contain:
--
dependencies = [
# PrgEnv version is not pinned, as Cray recommends to use the
latest (default) version
('PrgEnv-intel', EXTERNAL_MODULE),
('intel', EXTERNAL_MODULE),
('cray-libsci/13.2.0', EXTERNAL_MODULE),
('cray-mpich/7.2.6', EXTERNAL_MODULE),
]
--
and then specify the specific intel version (if needed) in the software
easyconfig?
Cheers
Andy
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