Add vera modules

Add slurm aliases
This commit is contained in:
2020-03-13 16:09:34 +01:00
parent b37976611b
commit 740729834a
6 changed files with 62 additions and 9 deletions

View File

@@ -1,6 +1,6 @@
whatis([==[My compiled version of GPAW]==])
conflict("GPAW")
unload("GPAW")
function ld (m)
if not ( isloaded(m) ) then
@@ -13,12 +13,7 @@ ld("clusterappl")
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/gpaw/20.1.0")
ld("iccifort/2019.5.281")
ld("impi/2018.5.288")
ld("imkl/2019.5.281")
ld("Python/3.7.4")
ld("SciPy-bundle/2019.10-Python-3.7.4")
ld("ASE/3.19.0-Python-3.7.4")
ld("ase/dev")
ld("libxc/4.3.4")
ld("gpaw-setups/0.9.20000")

View File

@@ -0,0 +1,24 @@
whatis([==[My compiled version of GPAW]==])
unload("GPAW")
function ld (m)
if not ( isloaded(m) ) then
load(m)
end
end
ld("clusterappl")
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/gpaw/dev")
ld("ase/dev")
ld("libxc/4.3.4")
ld("gpaw-setups/0.9.20000")
setenv("OMP_NUM_THREADS", 1)
prepend_path("PATH", pathJoin(root, "tools"))
prepend_path("PYTHONPATH", root)
prepend_path("PYTHONPATH", pathJoin(root, "build/lib.linux-x86_64-3.7"))
execute {cmd='complete -o default -C "/usr/bin/python3 ' .. root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}}