[CPMD-list] Compilation Problem for 3.11.1

[Vladimir Stegailov]

Amos,

below I cite the configuration file that is ok in my case (Xeon cluster, 
Intel Fortran 10.1, MKL 10.0).
You can use it with mkconfig.sh in order to make a Makefile.

#INFO#
IRAT=2
CFLAGS='-c -O2 -Wall'
CPP='/lib/cpp -P -C -traditional'
CPPFLAGS='-D__Linux -D__PGI -DFFT_DEFAULT \
-DPARALLEL -DMYRINET -DLINUX_IFC -DINTEL_MKL -DPOINTER8'
FFLAGS='-O2 -unroll -pc64 -march=pentium3 -mtune=core2'
LFLAGS='-L/opt/intel/mkl/10.0.2.018/lib/em64t -lmkl_sequential -lmkl_lapack  
-lmkl_em64t -lguide ­-lpthread'
FFLAGS_GROMOS=' $(FFLAGS)'
if [ $debug ]; then
FC='mpif77 -g'
CC='mpicc -g'
LD='mpif77 -g'
else
FC='mpif77 -c'
CC='mpicc '
LD='mpif77 -i-static'
fi

As Axel has pointed out if you change to

LFLAGS= -L/opt/intel/mkl/10.0.2.018/lib/em64t -lmkl_intel_lp64 -lmkl_sequential 
 -lmkl_core

this will link with the non-openmp version of the libraries and thus 
no -lpthread or -lguide should be needed.

best wishes,
Vladimir


----- Original Message ----- 
From: Amos Leffler
To: cpmd-list at cpmd.org
Sent: Tuesday, April 29, 2008 4:24 AM
Subject: [CPMD-list] Compilation Problem for 3.11.1


Dear Users,
Below is given the input portion of the Makefile INTEL-XEON64 that was 
adapted from the corresponding
AMD file and the changes that Alex suggested in his messages to Vladimir 
Stegailov and Oksana Ismailova.
I am using openSuSE 10.2 and XEON Quadcore 5335 2.0 GHz.  Something is still 
incorrect.

SHELL = /bin/sh
#
#--------------- Default Configuration for INTEL-XEON64 ---------------
SRC  = .
DEST = .
BIN  = .
#FFLAGS = -c -r8 -w95 -O2 -pc64 -tpp7 -unroll -cm -tune pn4 -arch pn4
FFLAGS = -O2 -unroll -pc64 -march=pentium4 -mtune=core2
LFLAGS 
= -L/opt/intel/mkl/10.0.1.014/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
CFLAGS = -c -O2 -Wall -m64
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
NOOPT_FLAG =
CC = gcc
FC = /opt/intel/fce/10.1.012/bin/ifort
LD = /opt/intel/fce/10.1.012/bin/ifort -i-static
AR = ar
-------------------Output--------------------------------------------------------------------------------
]2;amos at leffler2:...CPMD-3.11.1/SOURCE]1;leffler2amos at leffler2:~/Desktop/CPMD-3.11.1/SOURCE> 
make cpmd.x
Makefile:3497: warning: overriding commands for target `znum_mat.o'
Makefile:324: warning: ignoring old commands for target `znum_mat.o'
rm -f timetag.f
/lib/cpp -P -C -traditional -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC 
./timetag.F ./timetag.f
/opt/intel/fce/10.1.012/bin/ifort  -O2 -unroll -pc64 -march=pentium4 -mtune=core2 
./timetag.f
/opt/intel/fce/10.1.012/lib/for_main.o: In function `main':
/export/users/nbtester/efi2linuxx86_nightly/branch-10_1/20080112_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x26): 
undefined reference to `MAIN__'
make: *** [cpmd.x] Error 1
]2;amos at leffler2:...CPMD-3.11.1/SOURCE]1;leffler2amos at leffler2:~/Desktop/CPMD-3.11.1/SOURCE> 
exit

Hopefully the problem is minor and yoour assistance would be much 
appreciated.

         Amos Leffler
         unaffiliated