[CPMD-list] cpmd-3.9.2 run error

[Axel Kohlmeyer]

On Fri, 16 Dec 2005, haider abbas wrote:

HA> Dear all cpmd user,
HA> 
HA> runnin cpmd-3.9.2 shows on the terminal
HA> 
HA> haider at robin:~> cd cp9
HA> haider at robin:~/cp9> cpmd.x inp-1>out-1&
HA> [1] 11658
HA> haider at robin:~/cp9> bash: ./cpmd.x: cannot execute
HA> binary file

hmmm, strange. please check, whether your version of
ifc does actually support the -i-static flag?
your link output does look as if not.
it would show up, in the output of ifc -help
if not, please change it to -static-libcxa,
delete cpmd.x and make again.

it is highly likely that you have an old version
of the intel compiler, and you should update it via 
premier support (currently at no cost for non-commercial
licenses) to the latest v8.1 build.

axel.

HA> I have compiled cpmd-3.9.2 using the makefile
HA> 
HA> ----------------------------------------------------------------------------
HA> # Makefile for cpmd.x (plane wave electronic
HA> calculation)
HA> # Configuration: PC-IFC-P4
HA> # Creation of Makefile: Dec 16 2005
HA> # on Linux robin 2.4.21-15.EL #1 Sun May 16 02:45:06
HA> EDT 2004 i686 athlon i386 GNU/Linux
HA> # Author: haider
HA> #----------------------------------------------------------------------------
HA> #
HA> SHELL = /bin/sh
HA> #
HA> #--------------- Default Configuration for PC-IFC-P4
HA> ---------------
HA> SRC  = .
HA> DEST = .
HA> BIN  = .
HA> #QMMM_FLAGS = -D__QMECHCOUPL
HA> #QMMM_LIBS  = -L. -lmm
HA> FFLAGS = -c -w90 -w95 -O2 -pc64 -unroll -tune pn4
HA> -arch pn4 
HA> LFLAGS = -L.-latlas $(QMMM_LIBS)
HA> CFLAGS = -c -O2 -Wall
HA> CPP = /lib/cpp -P -C -traditional
HA> CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT -DLINUX_IFC
HA>  
HA> NOOPT_FLAG = 
HA> CC = gcc 
HA> FC = ifort 
HA> LD = ifort -i-static 
HA> AR = ar
HA> #----------------------------------------------------------------------------
HA> CFGDEST = .
HA> CFGMACH = PC-IFC-P4
HA> #
HA> #  LIST OF FILES
HA> 
HA> 
HA> and the few lines before the completion of compilation
HA> are
HA> 
HA> 
HA> mm_cpmd_ext_pot_f77.o mm_mddiag.o mm_forces_diag.o
HA> mm_rho_forcedr.o vdwin.o vdw.o bs_forces_diag.o
HA> bswfo.o lsforce.o setbsstate.o wrccfl.o  sysdepend.o 
HA> -L.-latlas
HA> /opt/intel_fc_80/lib/libifcoremt.a(for_open_proc.o)(.text+0x3c56):
HA> In function `for__compute_filename':
HA> : Using 'getpwnam' in statically linked applications
HA> requires at runtime the shared libraries from the
HA> glibc version used for linking
HA> /opt/intel_fc_80/lib/libifcoremt.a(for_open_proc.o)(.text+0x3d39):
HA> In function `for__compute_filename':
HA> : Using 'getpwuid' in statically linked applications
HA> requires at runtime the shared libraries from the
HA> glibc version used for linking
HA> haider at robin:~/codes/CPMD-3.9.2/SOURCE>
HA> 
HA> 
HA> could you please tell me what is wrong however, on the
HA> same machine cpmd-3.7.2 is working well
HA> 
HA> thanks 
HA> yours sincerely 
HA> Haider Abbas
HA> 
HA> 
HA> 
HA> 
HA> 
HA> 
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HA> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.