[CPMD-list] Is there any problem in this Makefile?

[osirixu-cpmd at yahoo.com.cn]

I have installed the latest Intel Fortran Complier (v9.0.021), Intel C++ Complier (v9.0.021), and Intel Math Kernel Library (v7.2.1.003) on my CentOS4 (a clone package of RHEL4). My computer processor is athlon K5 1050Mhz. I wonder if there is any problem in the CPMD-3.9.2 Makefile below for my computer, or is there any tips to optimize this configuration?



#
SHELL = /bin/sh
#
#--------------- Default Configuration for PC-IFC ---------------
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -c -r8 -O3 -pc64 -xW -tpp6  -unroll -cm -tune pn3 -w90 -w95
LFLAGS = -lsvml -L/opt/intel/mkl721/lib/32/ -lmkl_lapack -lmkl_ia32 -Vaxlib /opt/intel/mkl721/lib/32/libguide.a -lpthread $(QMMM_LIBS)
CFLAGS = -c -O2 -Wall
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT -DLINUX_IFC -DINTEL_MKL
NOOPT_FLAG = 
CC = icc -c -O
FC = ifc 
LD = ifc
AR = ar
#----------------------------------------------------------------------------

 

Besides, I have changed 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))



p.s. Would it be better if using -lmkl_lapack rather than -lmkl_lapack32, and -lmkl_ia32 rather than -lmkl_p3 in LFLAGS here? Indeed, I am a little confused about the settings for FFLAGS and LFLAGS. Is there any detailed  parameter setting description of the two flags, respectively for specific computer processor and compile environment?

Many thanks!

		
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