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Author SHA1 Message Date
chn
12dbeb8de4 test 2025-02-26 11:46:14 +08:00
4 changed files with 9 additions and 2 deletions

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@@ -37,6 +37,9 @@ let vasp = stdenv.mkDerivation
# tell openmpi use ifx
OMPI_F90 = "ifx";
dontStrip = true;
dontPatchELF = true;
};
in writeShellScriptBin "vasp-intel"
''

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@@ -19,7 +19,8 @@ FREE = -free -names lowercase
FFLAGS = -assume byterecl -w
OFLAG = -O2
# OFLAG = -O2
OFLAG = -g
OFLAG_IN = $(OFLAG)
DEBUG = -O0

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@@ -35,6 +35,8 @@ let vasp = stdenv.mkDerivation
MKLROOT = mkl;
QD = "${stdenv.cc.cc}/Linux_x86_64/${stdenv.cc.cc.version}/compilers/extras/qd";
};
dontStrip = true;
dontPatchELF = true;
};
in writeShellScriptBin "vasp-nvidia"
''

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@@ -24,7 +24,8 @@ FREE = -Mfree
FFLAGS = -Mbackslash -Mlarge_arrays
OFLAG = -fast
# OFLAG = -fast
OFLAG = -g
DEBUG = -Mfree -O0 -traceback