[CPMD-list] Compilation with latest intel compiler(v8.1) and mkl lib(v7.2)

[Yun Wang]

Dear All,

  I just compiled CPMD with latest IFORT(v8.1)
compiler and MKL(v7.2) lib. You may have known how to
do it. I still want to share my experience.

  Firstly, I have changed the LFLAGS in Makefile
according to the guide of Dr. Axel;

LFLAGS = -static-libcxa -Xlinker -Bstatic -lsvml\
         -L/opt/intel/mkl721/lib/32 -lmkl_lapack
-lmkl_ia32 -lguide\
         -Vaxlib -Vaxlib -Xlinker -Bdynamic -lpthread
$(QMMM_LIBS)

  Then, change the util.F file around line 550 from:

#if   !(defined(__SGI)) && !(defined(__HP)) &&
!(defined(LINUX_IA64_INTEL))

to:

#if   !(defined(__SGI)) && !(defined(__HP)) &&
!(defined(LINUX_IFC))

  After these changes, everything should be OK.

  Best wishes.

Yun Wang


		
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