[CPMD-list] Compilation of CPMD in Intel Itanium

[Dipankar Roy]

Hi,
 I was trying to compile CPMD in a 64-Bit machine with four Intel
Itanium(2) processors and running on Red Hat Linux AS3. It has Firtran
compilers (ifort and icc) along with intel MKL library.
The make file is :

#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: LINUX_IA64_INTEL
# Creation of Makefile: Jul  8 2006
# on Linux Woxygen 2.4.21-20.EL #1 SMP Wed Aug 18 20:30:22 EDT 2004 ia64
ia64 ia64 GNU/Linux
# Author: XXX
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for LINUX_IA64_INTEL ---------------
SRC  = .
DEST = .
BIN  = .
FFLAGS =
LFLAGS = -L/opt/intel/mkl/lib/64 -lmkl_itp  -lmkl_lapack -lmkl_itp \
             -lPEPCF90 -lm -lpthread
CFLAGS = -D__alpha
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__alpha -DPOINTER8 -DFFT_DEFAULT -DALPHALINUX \
        -DMYRINET -DLINUX_IA64_INTEL -DINTEL_MKL
NOOPT_FLAG =
CC = icc -c -O
FC = ifort -c
LD= /usr/local/bin/ifort
AR = /usr/bin/ar -r
#----------------------------------------------------------------------------
# Personal Configuration
#----------------------------------------------------------------------------
#----------------------------------------------------------------------------
# End of Personal Configuration
#----------------------------------------------------------------------------



on running make command the error message i got was

p.o rnlsm_p.o vpsi_p.o perturbation_p.o eigensystem_p.o phonons_p.o
rwfopt_p.o d_mat_p.o updwf_p.o forces_p.o rhoofr_p.o raman_p.o opeigr_p.o
nmr_p.o nmr_util_p.o nmr_chi_p.o nmr_shift_p.o nmr_current_p.o
nmr_para_p.o nmr_full_p.o nmr_position_p.o util_p.o hardness_p.o
respin_p.o response_p.o restart_p.o pert_kpoint_p.o dnlpdk_p.o rnl_dk_p.o
kpert_potential_p.o  up3_p.o friesner_c_p.o matrix_p.o ks_ener_p.o
kpert_util_p.o fukui_p.o mdfile.o epr_p.o epr_current_p.o epr_util_p.o
epr_hyp.o epr_dv0.o epr_effpot.o kdp_diag.o kdp_prep.o kdp_rho.o
kdp_stress_kin.o kdpoints.o rhoofr_kdp.o mm_init.o mm_dim.o
mm_qmmm_forcedr.o
mm_mdmain.o mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o
mm_cpmd_ext_pot_f77.o mm_mddiag.o mm_forces_diag.o mm_rho_forcedr.o
td_mm_qmmm_forcedr.o mm_qmmm_forcedr_bs.o   vdwin.o vdw.o bs_forces_diag.o
bswfo.o lsforce.o setbsstate.o wrccfl.o mdshop_cp.o mdshop_bo.o
mm_mdshop_cp.o mm_mdshop_bo.o fusion.o rk4ov.o shop_adds.o  sysdepend.o   
-L/opt/intel/mkl/lib/64 -lmkl_itp  -lmkl_lapack -lmkl_itp -lPEPCF90 -lm
-lpthread
ld: cannot find -lmkl_itp
make: *** [cpmd.x] Error 1


Hope somebody has a solution to this.

with regards and thanks in advance
-Dipankar Roy








***********************************************
   Dipankar Roy
   Graduate Student of Prof. R. B. Sunoj
   Computational Chemistry Laboratoty
   Dept. of Chemistry
   Indian Institute of Technology, Bombay
   India - 400076
   Phone: +91-22-2576-4130(lab)
   URL: http://www.geocities.com/dipankar_roy79/dipankar.html
***********************************************

 GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE
 GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT.
                       - PROF. LEN SHAPIRO, NDSU