--- src/pmemd/configure 2008-05-16 08:55:14.000000000 -0400 +++ src/pmemd/configure 2008-10-01 22:06:32.000000000 -0400 @@ -41,6 +41,7 @@ where is one of + intelmpi (Intel MPI, all platforms) lam (Gigabit ethernet LAM mpi, all platforms) mpi (native mpi, aix*, cray*, osf1_alpha, sgi_altix, sgi_mips) @@ -390,8 +391,15 @@ EOD elif [ $platform = linux64_opteron -o \ $platform = linux_em64t ]; then + if [ -d $MKL_HOME/lib_serial ]; then # Cluster MKL 9.x + math_libs="$MKL_HOME/lib_serial/em64t/libmkl_em64t.a" + elif [ -f $MKL_HOME/lib/em64t/libmkl_sequential.a ]; then # MKL 10.x + math_libs="$MKL_HOME/lib/em64t/libmkl_intel_lp64.a $MKL_HOME/lib/em64t/libmkl_core.a $MKL_HOME/lib/em64t/libmkl_sequential.a" + else + math_libs="$MKL_HOME/lib/em64t/libmkl_em64t.a -L$MKL_HOME/lib/em64t -lguide -lpthread" + fi cat << EOD >> config.h -MATH_LIBS = $MKL_HOME/lib/em64t/libmkl_em64t.a -L$MKL_HOME/lib/em64t -lguide -lpthread +MATH_LIBS = $math_libs EOD elif [ $platform = sgi_altix ]; then cat << EOD >> config.h