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Fix cluster modules

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This commit is contained in:
Jakub Fojt
2020-03-18 09:21:32 +01:00
parent 3abb253457
commit ca6b02e14b
5 changed files with 18 additions and 17 deletions
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9
.modules.kuba/ase/Vera/dev.lua
View File

@@ -8,9 +8,12 @@ function ld (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("iccifort/2019.5.281")
ld("impi/2018.5.288")
ld("imkl/2019.5.281")
ld("Python/3.7.4")
ld("Tkinter/3.7.4")
ld("matplotlib/3.1.1-Python-3.7.4")
ld("clusterappl") -- Sets up MYNOBACKUP

3
.modules.kuba/clusterappl.lua
View File

@@ -19,6 +19,7 @@ setenv("MYNOBACKUP", nobackup)
setenv("USERAPPL", userappl)
prepend_path("PYTHONPATH", pythonp)
prepend_path("PYTHONPATH", ".")
prepend_path("PATH", binp)
prepend_path("PATH", libp)
prepend_path("LD_LIBRARY_PATH", libp)
execute {cmd='`snakemake --bash-completion`', modeA={"load"}}

8
.modules.kuba/gpaw/Vera/20.1.0.lua
View File

@@ -8,15 +8,13 @@ function ld (m)
end
end
ld("clusterappl")
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/gpaw/20.1.0")
ld("ase/dev")
ld("libxc/4.3.4")
ld("gpaw-setups/0.9.20000")
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/gpaw/20.1.0")
setenv("OMP_NUM_THREADS", 1)
prepend_path("PATH", pathJoin(root, "tools"))
prepend_path("PYTHONPATH", root)

8
.modules.kuba/gpaw/Vera/dev.lua
View File

@@ -8,15 +8,13 @@ function ld (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")
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/gpaw/dev")
setenv("OMP_NUM_THREADS", 1)
prepend_path("PATH", pathJoin(root, "tools"))
prepend_path("PYTHONPATH", root)