288 lines
9.4 KiB
Text
288 lines
9.4 KiB
Text
--- lked.orig 2012-10-27 01:12:07.000000000 +0900
|
|
+++ lked 2013-02-27 16:06:32.000000000 +0900
|
|
@@ -57,6 +57,8 @@
|
|
set VB2000=false
|
|
if ($TARGET == linux64) set VB2000=true
|
|
if ($TARGET == linux32) set VB2000=true
|
|
+if ($TARGET == freebsd64) set VB2000=true
|
|
+if ($TARGET == freebsd32) set VB2000=true
|
|
if ($TARGET == mac64) set VB2000=true
|
|
set XMVB=false
|
|
#
|
|
@@ -632,6 +634,243 @@
|
|
endif
|
|
#
|
|
endif
|
|
+
|
|
+if ($TARGET == freebsd32) then
|
|
+ set VECTOR=' '
|
|
+ set QUICHE='zunix.o'
|
|
+#
|
|
+# settings which depend on the compiler choice:
|
|
+#
|
|
+ switch ($GMS_FORTRAN)
|
|
+ case g77:
|
|
+ set LDR='g77'
|
|
+ set LDOPTS=' ' # add '-Wl,-M' to see load map
|
|
+ set FORTLIBS=' '
|
|
+ breaksw
|
|
+ case gfortran:
|
|
+ set LDR=%%FC%%
|
|
+ set LDOPTS=' '
|
|
+ set FORTLIBS=' '
|
|
+ breaksw
|
|
+ case ifort:
|
|
+ set LDR='ifort'
|
|
+ set LDOPTS=' ' # add '-Wl,-M' to see load map
|
|
+ set FORTLIBS='-Vaxlib'
|
|
+ breaksw
|
|
+ case f2c:
|
|
+ set LDR='gcc'
|
|
+ set LDOPTS=' '
|
|
+ set FORTLIBS='-lf2c -lm'
|
|
+ breaksw
|
|
+ default:
|
|
+ echo Please spell your freebsd32 compiler correctly.
|
|
+ exit 4
|
|
+ endsw
|
|
+#
|
|
+# settings which depend on the math library: mkl, atlas, acml, none
|
|
+#
|
|
+ switch ($GMS_MATHLIB)
|
|
+
|
|
+# for MKL, we lack experience. The following is the 64-bit
|
|
+# stuff, with all 64's removed. It might be right!
|
|
+# For the case of "11", this has actually been verified.
|
|
+ case mkl:
|
|
+ set mpath=$GMS_MATHLIB_PATH
|
|
+ switch ($GMS_MKL_VERNO)
|
|
+ case 8:
|
|
+ set MATHLIBS="-L$mpath -lmkl_lapack -lmkl -lguide -lpthread"
|
|
+ breaksw
|
|
+ case 9:
|
|
+ set MATHLIBS="-L$mpath -lmkl_lapack -lmkl -lguide -lpthread"
|
|
+ breaksw
|
|
+ case 10:
|
|
+ # next one forces single-threaded usage only...exactly what we want.
|
|
+ set MATHLIBS="-L$mpath -lmkl_intel -lmkl_sequential -lmkl_core"
|
|
+ breaksw
|
|
+ case 11:
|
|
+ case 12:
|
|
+ # next attempts a static link, whereas 10 above is a dynamic link.
|
|
+ # if this fails to work, try the version 10 lines shown just above.
|
|
+ set MATHLIBS="$mpath/libmkl_intel.a"
|
|
+ set MATHLIBS="$MATHLIBS $mpath/libmkl_sequential.a"
|
|
+ set MATHLIBS="$MATHLIBS $mpath/libmkl_core.a"
|
|
+ breaksw
|
|
+ default:
|
|
+ echo "unknown version number for MKL/linux32"
|
|
+ echo "please edit 'lked' to select the right 32 bit MKL libraries."
|
|
+ exit
|
|
+ breaksw
|
|
+ endsw
|
|
+ set BLAS=' '
|
|
+ breaksw
|
|
+
|
|
+ case atlas:
|
|
+ # If the ATLAS comes with static libraries, link to them,
|
|
+ # so that only the compile node has to have the libraries.
|
|
+ # Otherwise, attempt a link against shared object libs.
|
|
+ # See the 64 bit Atlas below for a way to fix the linker's
|
|
+ # not being able to locate -lf77blas, if that happens.
|
|
+ if (-e $GMS_MATHLIB_PATH/libf77blas.a) then
|
|
+ set MATHLIBS="$GMS_MATHLIB_PATH/libf77blas.a"
|
|
+ set MATHLIBS="$MATHLIBS $GMS_MATHLIB_PATH/libatlas.a"
|
|
+ else
|
|
+ set MATHLIBS="-L$GMS_MATHLIB_PATH -lf77blas -latlas"
|
|
+ endif
|
|
+ set BLAS=' '
|
|
+ breaksw
|
|
+
|
|
+ case acml:
|
|
+ # do a static link so that only compile node needs to install ACML
|
|
+ set MATHLIBS="$GMS_MATHLIB_PATH/libacml.a"
|
|
+ set BLAS=' '
|
|
+ breaksw
|
|
+
|
|
+ case none:
|
|
+ default:
|
|
+ echo "Warning. No math library was found, you should install one."
|
|
+ echo " MP2 calculations speed up about 2x with a math library."
|
|
+ echo "CCSD(T) calculations speed up about 5x with a math library."
|
|
+ set BLAS='%%BLAS%% %%LAPACK%%'
|
|
+ set MATHLIBS=' '
|
|
+ breaksw
|
|
+ endsw
|
|
+#
|
|
+ set LIBRARIES="$FORTLIBS $MATHLIBS"
|
|
+endif
|
|
+#
|
|
+# ------ FreeBSD on 64 bit chips -----
|
|
+#
|
|
+if ($TARGET == freebsd64) then
|
|
+ set VECTOR=' '
|
|
+ set QUICHE='zunix.o'
|
|
+#
|
|
+# settings which depend on the FORTRAN:
|
|
+#
|
|
+ switch ($GMS_FORTRAN)
|
|
+ case gfortran:
|
|
+ set LDR=%%FC%%
|
|
+ set LDOPTS=' '
|
|
+ set FORTLIBS=' '
|
|
+ breaksw
|
|
+ case ifort:
|
|
+ set LDR='ifort'
|
|
+ set LDOPTS='-i8' # -Wl,-M generates a load map
|
|
+# this auxiliary library seems to have disappeared in ifort 10
|
|
+ set FORTLIBS=' '
|
|
+ if($GMS_IFORT_VERNO < 10) set FORTLIBS='-Vaxlib'
|
|
+ breaksw
|
|
+ default:
|
|
+ echo "don't know how to use a freebsd64 compiler named $GMS_FORTRAN"
|
|
+ exit 4
|
|
+ breaksw
|
|
+ endsw
|
|
+#
|
|
+# settings which depend on the math library: mkl, atlas, acml, none
|
|
+#
|
|
+ switch ($GMS_MATHLIB)
|
|
+
|
|
+ case mkl:
|
|
+ set mpath=$GMS_MATHLIB_PATH
|
|
+ set mklver=$GMS_MKL_VERNO
|
|
+ if ($CCHEM == true) set mklver=${mklver}-so
|
|
+ switch ($mklver)
|
|
+ case 8:
|
|
+ set MATHLIBS="-L$mpath -lmkl_lapack64 -lmkl -lguide -lpthread"
|
|
+ breaksw
|
|
+ case 9:
|
|
+ set MATHLIBS="-L$mpath -lmkl_lapack -lmkl -lguide -lpthread"
|
|
+ breaksw
|
|
+ breaksw
|
|
+ case 10:
|
|
+ case 11:
|
|
+ case 12:
|
|
+ # next are a static link, in single-threaded mode (serial BLAS).
|
|
+ # The choices preclude any need to
|
|
+ # a) install .so shared object libraries on every node,
|
|
+ # b) define LD_LIBRARY_PATH to find the .so libraries, or
|
|
+ # c) define MKL_NUM_THREADS=1
|
|
+ # If desired, there is a single-threaded shared object link below.
|
|
+ # Note, there's now a gfortran-specific compiler interface library.
|
|
+ set iflib=intel
|
|
+ if ($GMS_FORTRAN == gfortran) set iflib=gf
|
|
+ set MATHLIBS=" $mpath/libmkl_${iflib}_ilp64.a"
|
|
+ set MATHLIBS="$MATHLIBS $mpath/libmkl_sequential.a"
|
|
+ set MATHLIBS="$MATHLIBS $mpath/libmkl_core.a"
|
|
+ breaksw
|
|
+ case 10-so:
|
|
+ case 11-so:
|
|
+ case 12-so:
|
|
+ # next one chooses dynamic linking (so= shared object libs)
|
|
+ # Just hand edit GMS_MKL_VERNO in your 'install.info' to use this.
|
|
+ # run-time libs (and LD_LIBRARY_PATH) needed on every compute node!
|
|
+ # note that it does force single-threaded usage.
|
|
+ # LIBCCHEM fails to link properly against static libraries.
|
|
+ # LIBCCHEM prefers to use threading
|
|
+ set iflib=intel
|
|
+ if ($GMS_FORTRAN == gfortran) set iflib=gf
|
|
+ if ($CCHEM == false) then
|
|
+ set MATHLIBS="-L$mpath -lmkl_${iflib}_ilp64 -lmkl_sequential -lmkl_core"
|
|
+ else
|
|
+ set MATHLIBS="-L$mpath -lmkl_${iflib}_ilp64 -lmkl_${iflib}_thread -lmkl_core -liomp5"
|
|
+ endif
|
|
+ breaksw
|
|
+ default:
|
|
+ echo "unknown version number for MKL/linux64"
|
|
+ echo "please edit 'lked' to select the right 64 bit MKL libraries."
|
|
+ exit
|
|
+ breaksw
|
|
+ endsw
|
|
+ set BLAS=' '
|
|
+ breaksw
|
|
+
|
|
+ case atlas:
|
|
+ # If the ATLAS comes with static libraries, link to them,
|
|
+ # so that only the compile node has to have the libraries.
|
|
+ # Otherwise, attempt a link against shared object libs.
|
|
+ #
|
|
+ # Some versions of Atlas come without proper setup to use them.
|
|
+ # For example, you may need to give some specific version such
|
|
+ # as 3.0 some generic names, by doing the right soft links:
|
|
+ # chdir /usr/lib64/atlas (just 'lib' for linux32)
|
|
+ # ln -s libatlas.so.3.0 libatlas.so
|
|
+ # ln -s libblas.so.3.0 libblas.so
|
|
+ # ln -s libcblas.so.3.0 libcblas.so
|
|
+ # ln -s libf77blas.so.3.0 libf77blas.so
|
|
+ # ln -s liblapack_atlas.so.3.0 liblapack.so
|
|
+ # ln -s liblapack.so.3.0 liblapack.so
|
|
+ # It is strange the RPM's don't do these soft links for us.
|
|
+ if (-e $GMS_MATHLIB_PATH/libf77blas.a) then
|
|
+ set MATHLIBS="$GMS_MATHLIB_PATH/libf77blas.a"
|
|
+ set MATHLIBS="$MATHLIBS $GMS_MATHLIB_PATH/libatlas.a"
|
|
+ else
|
|
+ set MATHLIBS="-L$GMS_MATHLIB_PATH -lf77blas -latlas"
|
|
+ endif
|
|
+ set BLAS=' '
|
|
+ breaksw
|
|
+
|
|
+ case acml:
|
|
+ # do a static link so that only compile node needs to install ACML
|
|
+ set MATHLIBS="$GMS_MATHLIB_PATH/libacml.a"
|
|
+ # if you want to try a dynamic link, use this:
|
|
+ #---set MATHLIBS="-L$GMS_MATHLIB_PATH -lacml -lacml_mv"
|
|
+ set BLAS=' '
|
|
+ breaksw
|
|
+
|
|
+ case none:
|
|
+ default:
|
|
+ echo "Warning. No math library was found, you should install one."
|
|
+ echo " MP2 calculations speed up about 2x with a math library."
|
|
+ echo "CCSD(T) calculations speed up about 5x with a math library."
|
|
+ set BLAS='%%BLAS%% %%LAPACK%%'
|
|
+ set MATHLIBS=' '
|
|
+ breaksw
|
|
+ endsw
|
|
+#
|
|
+ set LIBRARIES="$FORTLIBS $MATHLIBS"
|
|
+endif
|
|
+#
|
|
+endif
|
|
+
|
|
#
|
|
# MacIntosh
|
|
#
|
|
@@ -675,6 +914,23 @@
|
|
set VECTOR=' '
|
|
set QUICHE='zunix.o'
|
|
endif
|
|
+#FreeBSD settings
|
|
+if ($TARGET == freebsd32) then
|
|
+ set LDR=%%FC%%
|
|
+ set LDOPTS='%%LDFLAGS%%'
|
|
+ set LIBRARIES=''
|
|
+ set BLAS="-L%%LOCALBASE%%/lib %%BLAS%% %%LIBSVM%% %%LIBG2C%%"
|
|
+ set VECTOR=' '
|
|
+ set QUICHE='zunix.o'
|
|
+endif
|
|
+if ($TARGET == freebsd64) then
|
|
+ set LDR=%%FC%%
|
|
+ set LDOPTS='%%LDFLAGS%%'
|
|
+ set LIBRARIES=''
|
|
+ set BLAS="-L%%LOCALBASE%%/lib %%BLAS%%"
|
|
+ set VECTOR=' '
|
|
+ set QUICHE='zunix.o'
|
|
+endif
|
|
#
|
|
if ($TARGET == necsx) then
|
|
set LDR='f90'
|
|
@@ -1199,6 +1199,8 @@
|
|
case ibm64:
|
|
case linux32:
|
|
case linux64:
|
|
+ case freebsd32:
|
|
+ case freebsd64:
|
|
case mac32:
|
|
case mac64:
|
|
case sgi32:
|