--- amber11/AmberTools/src/configure 2010-03-28 13:06:04.000000000 -0400 +++ ../scratch/amber11/AmberTools/src/configure 2010-03-29 12:11:55.000000000 -0400 @@ -319,7 +319,7 @@ if [ ! -x ../bin/yacc ]; then echo "Error: you must configure and install the serial version of " echo " AmberTools before doing a parallel install!" - exit 1 +# exit 1 fi fi @@ -467,8 +467,8 @@ flibs_arch="-L$fl -lifport -lifcore" flibsf_arch= - cc=icc - cplusplus=icpc + cc=gcc + cplusplus=g++ ocflags=-O2 fc=ifort fflags=-O0 @@ -479,8 +479,7 @@ # Test Intel compiler versions for optimisation flags. Note that the # output of "icc -v" goes onto STDERR. # C compiler version - icc_version=`$cc -v 2>&1` - icc_version=`echo $icc_version | sed -e 's/\..*//g' | sed -e 's/^Version //'` + icc_version=0 # Test Intel compiler versions for optimisation flags. Note that the # output of "ifort -v" goes onto STDERR. @@ -512,9 +511,9 @@ if [ "$sse" = 'yes' ]; then # Preface $ocflags with -ip - ocflags="-ip $ocflags" + #ocflags="-ip $ocflags" # Within ocflags, use -O3 - ocflags=`echo $ocflags | sed -e 's/ -O[012] / -O3 /g'` + #ocflags=`echo $ocflags | sed -e 's/ -O[012] / -O3 /g'` # For both ocflags and foptflags, use the appropriate settings # for the sse flags (compiler version dependent). @@ -522,8 +521,8 @@ if [ -n "$SSE_TYPES" ] ; then ocflags="$ocflags -ax$SSE_TYPES" fi - else - ocflags="$ocflags -axSTPW" + #else + # ocflags="$ocflags -axSTPW" fi if [ "$ifort_version" -ge 11 ] ; then @@ -549,7 +548,7 @@ #PMEMD Specifics pmemd_fpp_flags='-DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT' pmemd_foptflags='-fast' - pmemd_coptflags='-fast' + pmemd_coptflags='' #CUDA Specifics if [ "$cuda" = 'yes' -o "$cuda_SPSP" = 'yes' -o "$cuda_DPDP" = 'yes' ]; then