[CPMD-list] Compilation of CPMD in Intel Itanium

[Kozin, I (Igor)]

You should check your path to MKL libraries. Usually there are three directories
$ ls -l /opt/intel/mkl/8.0/lib/
drwxr-sr-x  2 root root 4096 2006-03-02 14:47 32
drwxr-sr-x  2 root root 4096 2006-03-02 14:47 64
drwxr-sr-x  2 root root 4096 2006-03-02 14:47 em64t
and you need the one for Itanium. In this case
-L/opt/intel/mkl/8.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide -lpthread -lm
This will use static version of the library.
Igor

> -----Original Message-----
> From: cpmd-list-bounces at cpmd.org [mailto:cpmd-list-bounces at cpmd.org]On
> Behalf Of Dipankar Roy
> Sent: 10 July 2006 10:14
> To: cpmd-list at cpmd.org
> Subject: [CPMD-list] Compilation of CPMD in Intel Itanium
> 
> 
> 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
> 
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