[CPMD-list] Problem linking with 3.7-1

[Axel Kohlmeyer]

On Wed, 16 Jul 2003 12:34:02 -0400  Carl Krauthauser wrote:

> Dear CPMD users.
> 
> I am attempting to compile ver. 3.7-1 with the PC-IFC configuration.  At 
> the linking stage, I get the following error messages:
> 
> > cpmd.o: In function `cpmd_':
> > cpmd.o(.text+0x51): undefined reference to `signal_'
> > cpmd.o(.text+0x65): undefined reference to `signal_'
> > envir.o: In function `envir_':
> > envir.o(.text+0x2f): undefined reference to `getenv_'
> > envir.o(.text+0x3e): undefined reference to `getcwd_'
> > envir.o(.text+0x46): undefined reference to `getpid_'
> > envir.o(.text+0x50): undefined reference to `getuid_'
> > control.o: In function `control_':
> > control.o(.text+0x53): undefined reference to `iargc_'
> > control.o(.text+0xf9): undefined reference to `sleep_'
> > timec.o: In function `timec_':
> > timec.o(.text+0x6): undefined reference to `etime_'
> > util.o: In function `my_flush_':
> > util.o(.text+0x11): undefined reference to `flush_'
> > util.o: In function `datum_':
> > util.o(.text+0x13f1): undefined reference to `fdate_'
> > util.o: In function `my_getarg_':
> > util.o(.text+0x1cf3): undefined reference to `getarg_'
> > util.o: In function `my_getenv_':
> > util.o(.text+0x1d0d): undefined reference to `getenv_'
> > util.o: In function `my_getlog_':
> > util.o(.text+0x1d1f): undefined reference to `getlog_'
> > recpnew.o: In function `recpnew_':
> > recpnew.o(.text+0x17c): undefined reference to `iargc_'
> > recpnew.o: In function `recpeam_':
> > recpnew.o(.text+0x3d91): undefined reference to `iargc_'
> > testex.o: In function `testex_':
> > testex.o(.text+0x50): undefined reference to `system_'
> > wv30.o: In function `zhwwf_':
> > wv30.o(.text+0x6ad): undefined reference to `system_'
> > setbasis.o: In function `read_basis_.D':
> > setbasis.o(.text+0x1070): undefined reference to `iargc_'
> > setbasis.o: In function `read_basis_.A':
> > setbasis.o(.text+0x369b): undefined reference to `iargc_'
> > egointer.o: In function `interface_wait_.':
> > egointer.o(.text+0xb26): undefined reference to `sleep_'
> > egointer.o: In function `interface_read_.':
> > egointer.o(.text+0xc6d): undefined reference to `iargc_'
> > sample.o: In function `sample_wait_':
> > sample.o(.text+0x115): undefined reference to `sleep_'
> > sample.o: In function `sample_go_':
> > sample.o(.text+0x946): undefined reference to `system_'
> > rwswap.o: In function `del_swap_.':
> > rwswap.o(.text+0x3961): undefined reference to `system_'

hi!

for this you need to add -Vaxlib to LFLAGS.

> > /usr/lib/liblapack.so: undefined reference to `e_wsfe'
> > /usr/lib/liblapack.so: undefined reference to `do_fio'
> > /usr/lib/liblapack.so: undefined reference to `s_wsfe'

this lapack library was most likely compiled for a different compiler.
you should use a combined atlas/lapack library or the intel math kernel
library instead.

> > make: *** [cpmd.x] Error 1
> 
> It seems to me that I am missing some library, but I am unsure what it 
> might be.  Presently, I have the following libraries:
> 
> LFLAGS = -L/usr/lib -llapack 
> -L/usr1/quantum_chemistry/atlas_libraries/3.5.2/athlon -llapack 
> -lf77blas -lcblas -latlas $(QMMM_LIBS)
> 

if your machine is an amd athlon, you can download a precompiled,
athlon xp optimized lapack/atlas binary at

<http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/libatlas.a>,

copy the file to your compilation directory and use

LFLAGS = -L. -latlas -Vaxlib $(QMMM_LIBS)

hope this helps,
	axel kohlmeyer.

> Anyone have any thoughts as to what library (or libraries) I am missing? 
>  Thank you all for your assistance!
> 
> 
> Carl
> 
> -- 
> __________________________________________________________
> Carl Krauthauser, Ph.D.
> Research Associate
> University of Delaware - Center for Composite Materials
> 215 Composites Manufacturing Sciences Lab
> Newark, Delaware  19716-3144
> Phone:(302) 831-8701
> FAX: (302) 831-8525
> e-mail: krauthau at ccm.udel.edu
> 
> 
> 
> _______________________________________________
> CPMD-list mailing list
> CPMD-list at cpmd.org
> http://www.cpmd.org/mailman/listinfo/cpmd-list
> 

--

=======================================================================
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
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.