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module purge
module load intel-cc-11/11.1.072
module load fftw/3.2.2-intel
module load  intel-cmkl-11/11.1.072


module load intel-tools-11/11.1.072
module load  fftw/3.3-alpha-intel
module unload  intel-mpi/4.0.0.027
 module list
Currently Loaded Modulefiles:
  1) intel-cc-11/11.1.072      2) intel-fc-11/11.1.072      3) intel-cmkl-11/11.1.072    4) intel-tools-11/11.1.072   5) fftw/3.3-alpha-intel

cd /sw/VASP/5.2.12
tar -zxvf /data1/vasp.5.2.12.tar.gz
mv vasp.5.2 vasp.5.2-intel
cd /sw/VASP/5.2.12/vasp.5.2-intel
cp makefile.linux_ifc_P4 Makefile

>>>>>>>
 diff Makefile makefile.linux_ifc_P4
53c53
< FC=ifort
---
> FC=ifc
126d125
< BLAS=-L/sw/sdev/intel/Compiler/11.1/072/mkl/lib/em64t -lmkl_lapack -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
131c130
< #BLAS=  /opt/libs/libgoto/libgoto.so
---
> BLAS=  /opt/libs/libgoto/libgoto.so
134c133
< LAPACK= ../vasp.5.lib-intel/lapack_double.o
---
> LAPACK= ../vasp.5.lib/lapack_double.o
141,142c140,141
< LIB  = -L../vasp.5.lib-intel -ldmy \
<      ../vasp.5.lib-intel/linpack_double.o $(LAPACK) \
---
> LIB  = -L../vasp.5.lib -ldmy \
>      ../vasp.5.lib/linpack_double.o $(LAPACK) \

>>>>>>>>>

make 2>&1 |tee make_vasp52_serial_intel.txt

 

VASP-5.4.1

 

No Format
module purge
module load intel-mpi/4.0.0.027
module load intel-tools-11/11.1.072
module load fftw/3.2.2-intel
cd /sw/VASP/5.4.1/intel-serial
cp arch/makefile.include.linux_intel_serial makefile.include
vi makefile.include

Add this: MKLROOT=/sw/sdev/intel/Compiler/11.1/072/mkl
make