<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:ÐÂËÎÌå,nsimsun,sans-serif;font-size:13pt">Hi,<br>1. For openmp (1.4.2):<br>./configure --prefix=.../openmpi142 --enable-mpi-threads --enable-shared --with-threads=posix --enable-mpi-f90 CC=cc cpp=cpp CXX=c++ FC=ifort<br><br>2. for cp2k.popt:<br>INTEL_INC=/opt/intel/Compiler/11.1/072/mkl/include<br>FFTW3_INC=.../fftw322/include<br><br>CC = cc<br>CPP = <br>FC = mpif90 -FR<br>#FC = mpif90 <br>LD = mpif90 -i_dynamic -openmp<br>AR = ar -r<br>#DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3<br>DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 -D__LIBINT<br>CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)<br>FCFLAGS
= $(DFLAGS) -I$(INTEL_INC) -I$(FFTW3_INC) -O2 -xW -heap-arrays 64 -funroll-loops -fpp -free<br>FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -I$(FFTW3_INC) -O1 -xW -heap-arrays 64 -funroll-loops -fpp -free<br>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC) -L/opt/intel/mkl/10.1.0.015/lib/em64t <br>#<br>LIBS = -L/opt/intel/mkl/10.1.0.015/lib/em64t -lmkl_scalapack -lmkl_em64t -lmkl_blacs_openmpi_lp64 -lguide -lpthread -lstdc++\<br>.../fftw322/lib/libfftw3.a \<br>.../libint114/lib/libderiv.a \<br>.../libint114/lib/libint.a <br><br>OBJECTS_ARCHITECTURE = machine_intel.o<br><br><br>graphcon.o: graphcon.F<br> $(FC) -c $(FCFLAGS2) <br>----------------------------------------------------------------<br>"..." stands for your own direction. <br><br><br>Best regards,<br><br></div></body></html>