[CPMD-list] compilation troubles

[Axel Kohlmeyer]

On Wed, 7 Jan 2004, Laura Orian wrote:

LO> Hello

hi laura,

LO> I am trying to compile the CPMD-3.7.2 code in my RH 9.0 Linux machine 
LO> with Intel Fortran Compliler and Intel Math libraries, but at the end I 
LO> get this message:
LO> 
LO> dp.o mm_detsp.o mm_init.o mm_dim.o mm_qmmm_forcedr.o mm_mdmain.o 
LO> mm_coninp.o mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o 
LO> mm_cpmd_ext_pot_f77.o vdwin.o vdw.o  sysdepend.o shmemory.o 
LO> -L/opt/intel/mkl61/lib/32/ -lmkl_lapack -lmkl_p4 -lguide -lpthread -Vaxlib
LO> ifc: warning: The Intel Fortran driver is now named ifort.  You can 
LO> suppress this message with '-quiet'
LO> envir.o(.text+0x3f): In function `envir_':
LO> : undefined reference to `hostnm__'
LO> envir.o(.text+0x4e): In function `envir_':
LO> : undefined reference to `getcwd__'
LO> envir.o(.text+0x56): In function `envir_':
LO> : undefined reference to `getpid__'
LO> envir.o(.text+0x60): In function `envir_':
LO> : undefined reference to `getuid__'
LO> make: *** [cpmd.x] Error 1
LO> 
LO> What's wrong?

it seems, as if your .F files have been preprocessed without
the -D__Linux define. try 'make clean; make'  to recompile
everything. if that does not help, please send the _first_
10-20 lines of the output produced by make.

LO> 
LO> Thank you
LO> Laura
LO> 
LO> The  Makefile is
LO> SHELL = /bin/sh
LO> #
LO> #--------------- Default Configuration for PC-IFC ---------------
LO> SRC  = .
LO> DEST = .
LO> BIN  = .
LO> #QMMM_FLAGS = -D__QMECHCOUPL
LO> #QMMM_LIBS  = -L. -lmm
LO> FFLAGS = -c -w -r8 -w90 -w95 -O3 -pc64 -axM -ip -tpp7
LO> LFLAGS = -L/opt/intel/mkl61/lib/32/ -lmkl_lapack -lmkl_p4 \
LO>                 -lguide -lpthread -Vaxlib
LO> CFLAGS = -c -O2 -Wall
LO> CPP = /lib/cpp -P -C -traditional
LO> CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
LO> NOOPT_FLAG =
LO> CC = gcc
LO> FC = /opt/intel_fc_80/bin/ifc -i_dynamic
LO> LD = /opt/intel_fc_80/bin/ifc -i_dynamic
                                  ^^^^^^^^^^
the intel compiler version 8 supposedly supports redhat 9
(i could not test it yet), so that you should be able to link
statically, which is highly recommended. with -i_dynamics
you _have_ to install mkl and and ifort everywhere.

hope this helps,
	axel.

LO> AR =
LO> 
LO> 
LO> 
LO> 

-- 


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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.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/
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