# # Setup for compiling with or without profiling on various platforms. # set mach = `gau-hname` set xname = "$g09root/g09" set mstr = "make" set dimstr = "" set mflags = "" if ($?LINDA_CC) unsetenv LINDA_CC if (-e $xname/small.flag) then set dimstr = "GAUDIM=10" else if (-e $xname/medium.flag) then set dimstr = "GAUDIM=200" else set dimstr = "GAUDIM=2500" endif if ( ( "$mach" == "ibm_rs6k_aix" ) || ( "$mach" == "ibm_rs6k_linux" ) || ( "$mach" == "ibm_rs6k_osx" ) ) then if (-e $xname/ibmp5.flag) then set arch = "p5" else set arch = "p7" endif if ( "$mach" == "ibm_rs6k_linux" ) then set os = "linux" set lbsd = "-lbsd-compat" else if ( "$mach" == "ibm_rs6k_osx" ) then set os = "osx" set arch = "ppc" set lbsd = "" else set os = "aix" set lbsd = "-lbsd" endif set blas = "UTIL_NAME='{util,bsd/libf77blas-$os-$arch,bsd/libatlas-$os-$arch}.a' BLAS=''" set blasp = "UTIL_NAME='{util,bsd/libf77blas-$os-$arch,bsd/libatlas-$os-$arch}.a' BLAS=''" if (-e $xname/ibmnoomp.flag) then set smpflag = "" else set smpflag = "-qsmp=noauto" endif if ((-e $xname/ibmp1.flag) || (-e $xname/ibmp2.flag) || (-e $xname/ibmi4.flag) ) then set q64flag = "" set sizeflag = "" else set q64flag = "-q64" set sizeflag = "-qintsize=8 -qrealsize=8" endif set fcname = "FCN=xlf_r" set fcflag = "FC='$q64flag $smpflag -qextname $lbsd $sizeflag'" set fcflagp = "FC='-pg $q64flag $smpflag -qextname $lbsd $sizeflag'" setenv LINDA_FORTRAN "xlf_r $q64flag -qextname $sizeflag $smpflag" setenv POSTFL_FORTRAN "$LINDA_FORTRAN" setenv LINDA_FORTRAN_LINK "$LINDA_FORTRAN" setenv MAKEFLAGS "`set-mflags`" set fc2flag = "FC2=" set pstr = "-pg" else if ("$mach" == "alpha-osf1") then if (-e /usr/lib/libcxml.a) then set blas = "BLAS='-lcxml'" else set blas = "BLAS='-ldxml'" endif set blasp = "$blas" set fcname = "FCN=f90" set fcflag = "FC='-O5 -transform_loops -omp -automatic -i8 -r8 -align dcommons -tune host -trapuv -assume noaccuracy_sensitive -math_library fast -reentrancy threaded -lrt'" set fcflagp = "FC='-omp -automatic -O -i8 -r8 -align dcommons -threads -pg'" set fc2flag = "FC2=" set pstr = "-pg" setenv LINDA_FORTRAN 'f90 -i8 -r8 -omp -reentrancy threaded' setenv POSTFL_FORTRAN 'f90 -i8 -r8 -omp -reentrancy threaded' setenv LINDA_FORTRAN_LINK 'f90 -i8 -r8 -omp -reentrancy threaded' setenv decfort_dump_flag Y else if ("$mach" == "alpha-linux") then set mstr = "make UTIL_NAME='util.a'" set blas = "BLAS='-lcxml -lcpml'" set blasp = "$blas" set fcname = "FCN=fort" set fcflag = "FC='-automatic -O -i8 -r8 -align dcommons'" set fcflagp = "FC='-automatic -O -i8 -r8 -align dcommons -pg'" set fc2flag = "FC2=" setenv LINDA_FORTRAN 'fort -assume no2underscores -i8 -r8 -reentrancy threaded' setenv POSTFL_FORTRAN 'fort -assume no2underscores -i8 -r8 -reentrancy threaded' setenv LINDA_FORTRAN_LINK 'fort -assume no2underscores -i8 -r8 -reentrancy threaded' set pstr = "-pg" else if (("$mach" == "i386") || ("$mach" == "amd64") || ("$mach" == "em64t") || ("$mach" == "i386-mac64") \ || ("$mach" == "i386-mac32") ) then setenv MAKEFLAGS "`set-mflags`" if (-e $xname/ia32p3.flag) then set fcname = "FCN='pgf77 -Bstatic_pgi -tp p6'" set blas = "BLAS='' UTIL_NAME='{util,bsd/libf77blas-ia32,bsd/libatlas-ia32}.a' MACHTY=p6" set fcflag = "FC='-mp=nonuma'" set lfort = "pgf77 -Bstatic_pgi -tp p6 -mp=nonuma" setenv LINDA_CC 'cc -m32 -march=i486 -malign-double' else if ("$mach" == "i386") then set fcname = "FCN='pgf77 -Bstatic_pgi -fastsse -tp p7-32'" set blas = "BLAS='' UTIL_NAME='{util,bsd/libf77blas-ia32,bsd/libatlas-ia32}.a'" set fcflag = "FC='-mp=nonuma'" set lfort = "pgf77 -Bstatic_pgi -fastsse -tp p7-32 -mp=nonuma" setenv LINDA_CC 'cc -m32 -march=i486 -malign-double' else if ("$mach" == "amd64") then set fcname = "FCN='ifort'" if (-e $xname/istanbul.flag) then set fcflagp = "FC='-L/opt/intel/composerxe/lib/intel64 -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -shared-intel -mkl -m64 -parallel -openmp -fpp2 -auto -O3 -p'" set fcflag = "FC='-L/opt/intel/composerxe/lib/intel64 -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -shared-intel -mkl -m64 -parallel -openmp -fpp2 -auto -O3'" set fc2flag = "FC2='-L/opt/intel/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_core -lmkl_intel_thread'" set blas = "BLAS='' UTIL_NAME='libg09util.so'" set lfort = "pgf77 -Bstatic_pgi -mp=nonuma -tp istanbul-64 -i8 -r8 -mcmodel=medium -Mx,39,0x10000000" else set fcflagp = "FC='-L/opt/intel/composerxe/lib/intel64 -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -shared-intel -mkl -m64 -parallel -openmp -fpp2 -auto -O3 -p'" set fcflag = "FC='-L/opt/intel/composerxe/lib/intel64 -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -shared-intel -mkl -m64 -parallel -openmp -fpp2 -auto -O3'" set fc2flag = "FC2='-L/opt/intel/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_core -lmkl_intel_thread'" set blas = "BLAS='' UTIL_NAME='libg09util.so'" set lfort = "ifort -fPIC -shared-intel -mkl -m64" endif else if ("$mach" == "i386-mac64") then set fcname = "FCN='pgf77'" set fcflag = "FC='-Wl,-u -Wl,_drum_ -mp -tp p7-64 -i8 -r8'" set blas = "BLAS='' UTIL_NAME='{util.a,bsd/libf77blas-imac64.a,bsd/libatlas-imac64.a}' MACHTY=p7-64 GAULIBU=util.a PGISTATIC= LINK1='-Wl,-u' LINK2='-Wl,_drum_' EXTCFLAGS=-D_FORTIFY_SOURCE=0 I8FLAG=-i8 R8FLAG=-r8 OPTOI=-m64 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 NJSEC=-DDEFJSEC=512" set lfort = "pgf77 -Wl,-u -Wl,_drum_ -mp -tp p7-64 -i8 -r8" else if ("$mach" == "i386-mac32") then set fcname = "FCN='pgf77'" set fcflag = "FC='-Wl,-u -Wl,_drum_ -mp -tp p7-32'" set blas = "BLAS='' UTIL_NAME='{util,bsd/libf77blas-imac32,bsd/libatlas-imac32}.a' MACHTY=p7-32 GAULIBU=util.a PGISTATIC= LINK1='-Wl,-u' LINK2='-Wl,_drum_' EXTCFLAGS=-D_FORTIFY_SOURCE=0 I8FLAG= R8FLAG=-r8 OPTOI=-m32" set lfort = "pgf77 -Wl,-u -Wl,_drum_ -mp -tp p7-32" setenv LINDA_CC 'cc -m32' else echo "logic failure in setup-make" endif set fcflagp = "" set fc2flag = "FC2='-lpthread -lm -lc'" setenv LINDA_FORTRAN "$lfort" setenv POSTFL_FORTRAN "$lfort" setenv LINDA_FORTRAN_LINK "$lfort" set blasp = "$blas" set pstr = "-p" else if ("$mach" == "sun_solaris2") then setenv MAKE 'make -e' set fcname = "FCN='f95 -f77=misc -lnsl -Bstatic -lfsu -lfui -lifai -lfai -lfai2'" set fcflag = "FC='-fast -openmp -xtypemap=real:64,double:64,integer:64 -xarch=v9 -xcache=generic'" set fcflagp = "FC='-fast -openmp -xtypemap=real:64,double:64,integer:64 -xarch=v9 -xcache=generic'" set fc2flag = "FC2='-xlic_lib=sunperf -Bdynamic -lc -lm'" set blas = "BLAS='' UTIL_NAME='util.a'" set blasp = "$blas" set pstr = "-p" setenv LINDA_CC "cc -m64" setenv LINDA_FORTRAN "f95 -f77=misc -lnsl -L$g09root/g09/bsd -Bstatic -fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic" setenv POSTFL_FORTRAN "$LINDA_FORTRAN" setenv LINDA_FORTRAN_LINK "$LINDA_FORTRAN" else if ("$mach" == "amd_solaris2") then setenv MAKE 'make -e SUN_ARCH=amd64' set fcname = "FCN='f95 -f77=misc -v -lnsl -L$g09root/g09/bsd -Bstatic -lfsu -lfui -lfai'" set fcflag = "FC='-fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic'" set fcflagp = "FC='-fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic'" set fc2flag = "FC2='-xlic_lib=sunperf -Bdynamic -lc -lm'" set blas = "BLAS='' UTIL_NAME='util.a'" set blasp = "$blas" set pstr = "-p" setenv LINDA_CC "cc -m64" setenv LINDA_FORTRAN "f95 -f77=misc -lnsl -L$g09root/g09/bsd -Bstatic -fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic" setenv POSTFL_FORTRAN "$LINDA_FORTRAN" setenv LINDA_FORTRAN_LINK "$LINDA_FORTRAN" else if ("$mach" == "intel_solaris2") then setenv MAKE 'make -e SUN_ARCH=amd64' set fcname = "FCN='f95 -f77=misc -lnsl -L$g09root/g09/bsd -Bstatic -lfsu -lfui -lfai'" set fcflag = "FC='-fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic'" set fcflagp = "FC='-fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic'" set fc2flag = "FC2='-xlic_lib=sunperf -Bdynamic -lc -lm'" set blas = "BLAS='' UTIL_NAME='util.a'" set blasp = "$blas" set pstr = "-p" setenv LINDA_CC "cc -m64" setenv LINDA_FORTRAN "f95 -f77=misc -lnsl -L$g09root/g09/bsd -Bstatic -fast -openmp -xtypemap=real:64,double:64,integer:64 -m64 -xcache=generic" setenv POSTFL_FORTRAN "$LINDA_FORTRAN" setenv LINDA_FORTRAN_LINK "$LINDA_FORTRAN" else if ("$mach" == "ia64") then set fcname = "FCN=ifort" set blas = "BLAS='' UTIL_NAME='util.a'" set blasp = "$blas" set pstr = "-p" set fcflag = "FC='-L/opt/intel/Compiler/11.0/083/lib -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -static-intel -openmp -fpp2 -auto -O3 -fpemu=silent'" set fcflagp = "FC='-L/opt/intel/Compiler/11.0/083/lib -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -static-intel -openmp -fpp2 -auto -O3 -fpemu=silent -p'" set fc2flag = "FC2='/opt/intel/mkl/10.1.1.019/lib/64/libmkl_ipf.a'" setenv LINDA_FORTRAN 'ifort -L/opt/intel/Compiler/11.0/083/lib -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -static-intel -openmp -fpp2 -auto -O3 -fpemu=silent' setenv LINDA_FORTRAN_LINK 'ifort -L/opt/intel/Compiler/11.0/083/lib -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -static-intel -openmp -fpp2 -auto -O3 -fpemu=silent' setenv POSTFL_FORTRAN 'ifort -L/opt/intel/Compiler/11.0/083/lib -WB -i8 -r8 -w -ftz -switch fe_new_cgoto -fp-relaxed -fp-speculation=safe -static-intel -openmp -fpp2 -auto -O3 -fpemu=silent' else if ("$mach" == "mac") then set fcname = "FCN=cc" set fcflag = "FC='-O3 -fexpensive-optimizations -ffast-math -Xlinker -u -Xlinker _argnames_ -Xlinker -u -Xlinker _drum_'" set fcflagp = "FC='-O3 -fexpensive-optimizations -ffast-math -Xlinker -u -Xlinker _argnames_ -Xlinker -u -Xlinker _drum_'" set fc2flag = "FC2='-lf2c -lm'" set blas = "BLAS='' UTIL_NAME='util.a'" set blasp = "$blas" set pstr = "-p" setenv POSTFL_FORTRAN mac-postfl else if ("$mach" == "sgi") then set fcname = "FCN=f77" set fcflag = "FC='-w -i8 -r8 -mp -mips4 -r10000 -align64 -64 -trapuv -Wl,-Xlocal,tstampc_ -Wl,-Xlocal,savedt_'" set fcflagp = "FC='-w -i8 -r8 -mp -mips4 -r10000 -align64 -64 -trapuv -p'" set fc2flag = "FC2='-lfastm'" set blas = "BLAS='-lscs_i8_mp' UTIL_NAME='util.a'" set blasp = "$blas" set mstr = "smake -J 1 -M -V -i" set pstr = "-p" unsetenv LINDA_FORTRAN unsetenv LINDA_FORTRAN_LINK unsetenv POSTFL_FORTRAN else set fcname = "FCN=g77" set fcflag = "FC='-fno-backslash'" set fcflagp = "FC='-fno-backslash -p'" set fc2flag = "FC2=''" set blas = "BLAS='' UTIL_NAME='util.a'" set blasp = "$blas" set pstr = "-p" unsetenv LINDA_FORTRAN unsetenv LINDA_FORTRAN_LINK unsetenv POSTFL_FORTRAN endif alias mk "$mstr $mflags GAU_DIR=$xname $blas $dimstr $fcname $fcflag $fc2flag" alias mkp "$mstr $mflags GAU_DIRA=$xname/prof UTIL_NAME=profutil.a $blasp $dimstr $fcflagp $fcname $fc2flag PROFFLAG=$pstr UPROFFLAG=$pstr" alias mkno "$mstr $mflags GAU_DIR=$xname $blas $dimstr $fcname $fcflag $fc2flag PROFFLAG='-g -O0' UPROFFLAG='-g -O0'" alias gt g09 -exedir=l1:exe-dir:${GAUSS_EXEDIR} alias gtl g09 -exedir=l1:linda-exe:exe-dir:${GAUSS_LEXEDIR}:${GAUSS_EXEDIR} alias gtlx g09 -exedir=/mf/frisch/working/l1:/mf/frisch/working/linda-exe:/mf/frisch/working/exe-dir:${GAUSS_LEXEDIR}:${GAUSS_EXEDIR} alias ngt nohup `alias gt` alias ngtl nohup `alias gtl` alias mkf make -f $g09root/g09/bsd/g09.make