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Add vera modules

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Add slurm aliases
This commit is contained in:
Jakub Fojt
2020-03-13 16:09:34 +01:00
parent b37976611b
commit 740729834a
6 changed files with 62 additions and 9 deletions
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0
.modules.kuba/ase/.version Normal file
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24
.modules.kuba/ase/Vera/dev.lua Normal file
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whatis("Ase")
conflict("ASE")
function ld (m)
if not ( isloaded(m) ) then
load(m)
end
end
ld("iccifort/2019.1.144-GCC-8.2.0-2.31.1")
ld("impi/2018.4.274")
ld("matplotlib/3.0.3-Python-3.7.2")
ld("clusterappl") -- Sets up MYNOBACKUP
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/ase/dev")
prepend_path("PYTHONPATH", root)
prepend_path("PATH", pathJoin(root, "tools"))
prepend_path("PATH", pathJoin(root, "bin"))
execute {cmd='complete -o default -C "/usr/bin/python3 ' .. root .. '/ase/cli/complete.py" ase', modeA={"load"}}

9
.modules.kuba/gpaw/Vera/20.1.0.lua
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@@ -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")

24
.modules.kuba/gpaw/Vera/dev.lua Normal file
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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"}}

8
.modules.kuba/slurm-aliases.lua Normal file
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whatis([==[
Defines useful SLURM aliases
]==])
set_alias("si", 'sinfo -e -o "%9P %4a %8s %.10l %11A %6z %.7m %40N"')
set_alias("q", 'squeue -u $USER -o "%7A %56j %2t %16S %.10M %.10L %.2D %4N"')
set_alias("ql", 'squeue -u $USER -o "%8A %7K %56j %2t %3r %16S %.10M %.10L %.4D %8N %4f"')
set_alias("qa", 'squeue -o "%8A %10u %.6Q %24j %2t %3r %16S %.10M %.10L %.4D %16N" -S t,-p | less')