[CPMD-list] CPMD 3.9.2 compilation on Xeon Linux cluster

[Axel Kohlmeyer]

On Tue, 7 Jun 2005, Jiten wrote:

JS> Dear CPMD users,
JS> 

JS> While trying to compile CPMD 3.9.2 on the Xeon Linux cluster - I face
JS> the following problem. I used

JS> ./mkconfig.sh LINUX_IA64_INTEL-MPI > Makefile
JS> 

jiten,

for intel xeon you cannot use an IA64 config but should use
a P4 config or in the unlikely case of the machine running
in x86_64 mode an AMD64 config. IA64 is for itanium which is
a completely different animal (even though it also has the 
intel compiler and MKL).

regards,
	axel.

JS> mpif90 -c  ./timetag.f
JS> rm -f cpmd.x
JS> if [ "." != "." ]; then ln -s ./cpmd.x cpmd.x; fi
JS> -- --
JS> ----
JS> sforce.o setbsstate.o wrccfl.o  sysdepend.o  -L/opt/intel/mkl/lib/64 -lmkl_itp -lmkl_lapack -lmkl_itp -lPEPCF90 -lm -lpthread   
JS> /usr/bin/ld: cannot find -lmkl_itp
JS> collect2: ld returned 1 exit status
JS> link failed.
JS> make: *** [cpmd.x] Error 1
JS> 
JS> Any suggestions will be highly appreciated.
JS> 
JS> With best regards,
JS> 
JS> N. Jiten Singh
JS> C/O Prof. Kwang S. Kim
JS> Department of Chemistry
JS> Pohang University of Science and Technology
JS> San 31, Hyojadong, Namgu
JS> Pohang 790-784, Korea
JS> Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
JS> Fax : 82-54-279-8137 (or +82-54-279-3399) 
JS> Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
JS> Home Page : http://www.geocities.com/njs_19

-- 

=======================================================================
Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.