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Merge pull request #197 from SouthernMethodistUniversity/fix_module_p…
…erms_for_ad Fix module perms for ad
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Original file line number | Diff line number | Diff line change |
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@@ -1,11 +1,18 @@ | ||
whatis("CRYSTAL 23 v1.0.1: Must be member of crystal group. Request access at via [email protected] with HPC in the subject line.") | ||
local groups = capture("groups") | ||
if string.match(groups, "crystal") == nil then | ||
LmodError("\n\nUse of CRYSTAL requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n") | ||
else | ||
family("crystal") | ||
conflict("crystal") | ||
load("gcc/11.2.0", "openmpi/4.1.6") | ||
prepend_path("PATH","/hpc/m3/apps/crystal/23_1") | ||
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local err_message="To use this module you must be in a particular group\n" .. | ||
"Please contact [email protected] with HPC in the subject to join crystal group\n" | ||
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local found = required_group("crystal") | ||
local found_new = required_group("hpc-crystal") | ||
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if (not found and not found_new) then | ||
LmodError(err_message) | ||
end | ||
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family("crystal") | ||
conflict("crystal") | ||
load("gcc/11.2.0", "openmpi/4.1.6") | ||
prepend_path("PATH","/hpc/m3/apps/crystal/23_1") | ||
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,12 +1,17 @@ | ||
whatis("CRYSTAL 23 v1.0.1: Must be member of crystal group. Request access at via [email protected] with HPC in the subject line.") | ||
local groups = capture("groups") | ||
if string.match(groups, "crystal") == nil then | ||
LmodError("\n\nUse of CRYSTAL requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n") | ||
else | ||
family("crystal") | ||
conflict("crystal") | ||
load("gcc", "openmpi") | ||
append_path("LD_LIBRARY_PATH", "/hpc/m3/apps/intel/oneapi/2023.1/compiler/2023.1.0/linux/compiler/lib/intel64_lin") | ||
prepend_path("PATH","/hpc/m3/apps/crystal/23/v1.0.1") | ||
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local err_message="To use this module you must be in a particular group\n" .. | ||
"Please contact [email protected] with HPC in the subject to join crystal group\n" | ||
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local found = required_group("crystal") | ||
local found_new = required_group("hpc-crystal") | ||
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if (not found and not found_new) then | ||
LmodError(err_message) | ||
end | ||
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family("crystal") | ||
conflict("crystal") | ||
load("gcc", "openmpi") | ||
append_path("LD_LIBRARY_PATH", "/hpc/m3/apps/intel/oneapi/2023.1/compiler/2023.1.0/linux/compiler/lib/intel64_lin") | ||
prepend_path("PATH","/hpc/m3/apps/crystal/23/v1.0.1") |
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,8 +1,15 @@ | ||
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].") | ||
local groups = capture("groups") | ||
if string.match(groups, "gaussian") == nil then | ||
LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n") | ||
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].") | ||
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local err_message="To use this module you must be in a particular group\n" .. | ||
"Please contact [email protected] with HPC in the subject to join gaussian group\n" | ||
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local found = required_group("gaussian") | ||
local found_new = required_group("hpc-gaussian") | ||
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if (not found and not found_new) then | ||
LmodError(err_message) | ||
end | ||
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family("gaussian") | ||
load("nvidia/23.5") | ||
local g16root = "/hpc/m3/apps/gaussian/g16c02_zen3" | ||
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,8 +1,14 @@ | ||
whatis("GaussView") | ||
local groups = capture("groups") | ||
if string.match(groups, "gaussian") == nil then | ||
LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n") | ||
local err_message="To use this module you must be in a particular group\n" .. | ||
"Please contact [email protected] with HPC in the subject to join gaussian group\n" | ||
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local found = required_group("gaussian") | ||
local found_new = required_group("hpc-gaussian") | ||
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if (not found and not found_new) then | ||
LmodError(err_message) | ||
end | ||
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family("gaussview") | ||
LmodWarning("GaussView can only be used from an HPC Portal remote desktop session.") | ||
prepend_path("PATH","/hpc/m3/apps/gaussian/gv") | ||
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Original file line number | Diff line number | Diff line change |
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@@ -1,13 +1,20 @@ | ||
whatis("VASP 5.4.4: Must be member of vasp group. Request access at via [email protected] with HPC in the subject line.") | ||
local groups = capture("groups") | ||
if string.match(groups, "vasp") == nil then | ||
LmodError("\n\nUse of VASP requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n") | ||
else | ||
family("vasp") | ||
conflict("vasp") | ||
load("gcc/11.2.0", "openmpi/4.1.4-7al4h2x", | ||
"netlib-scalapack/2.2.0-k6ikp5r", "fftw/3.3.10-gz7qiki", | ||
"openblas/0.3.21-s5husbk") | ||
prepend_path("PATH","/hpc/m3/apps/vasp/vasp.5.4.4/bin") | ||
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local err_message="To use this module you must be in a particular group\n" .. | ||
"Please contact [email protected] with HPC in the subject to join vasp group\n" | ||
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local found = required_group("vasp") | ||
local found_new = required_group("hpc-vasp") | ||
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if (not found and not found_new) then | ||
LmodError(err_message) | ||
end | ||
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family("vasp") | ||
conflict("vasp") | ||
load("gcc/11.2.0", "openmpi/4.1.4-7al4h2x", | ||
"netlib-scalapack/2.2.0-k6ikp5r", "fftw/3.3.10-gz7qiki", | ||
"openblas/0.3.21-s5husbk") | ||
prepend_path("PATH","/hpc/m3/apps/vasp/vasp.5.4.4/bin") | ||
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,8 +1,15 @@ | ||
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].") | ||
local groups = capture("groups") | ||
if string.match(groups, "gaussian") == nil then | ||
LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n") | ||
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].") | ||
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local err_message="To use this module you must be in a particular group\n" .. | ||
"Please contact [email protected] with HPC in the subject to join gaussian group\n" | ||
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local found = required_group("gaussian") | ||
local found_new = required_group("hpc-gaussian") | ||
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if (not found and not found_new) then | ||
LmodError(err_message) | ||
end | ||
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family("gaussian") | ||
load("nvidia/nvhpc/23.7") | ||
setenv("g16root", "/hpc/mp/apps/gaussian/g16c02") | ||
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