RE: AMBER: compile amber8 in linux with ifort

From: quch quch <quch0.yahoo.com>
Date: Fri, 23 Apr 2004 14:50:52 -0700 (PDT)

Thanks, That may be the problem, I have realized this
and am re-compiling it again.
Have a nice weekend.
chen

--- Ross Walker <ross.rosswalker.co.uk> wrote:
> Also, did you build your mpich installation with a
> fortran 90 compiler
> defined?
>
> i.e ./configure ....... -f90=ifc
>
> If not try reinstalling mpich with a configure line
> that explicitly
> specifies -fc=ifc -f90=ifc
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Department of Molecular Biology TPC15 |
> | The Scripps Research Institute |
> | Tel:- +1 858 784 8889 | EMail:-
> ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk/ | PGP Key available
> on request |
>
>
> > -----Original Message-----
> > From: owner-amber.scripps.edu
> > [mailto:owner-amber.scripps.edu] On Behalf Of quch
> quch
> > Sent: 23 April 2004 14:08
> > To: amber.scripps.edu
> > Subject: AMBER: compile amber8 in linux with ifort
> >
> > Hello,
> > I have problme to compile parallel version of
> amber8.
> > here is the error that I have. I am using the
> > mpich-1.2.5.2, the mpich/lib contains following
> files:
> >
> > libfmpich.a
> > libmpich.a
> > libmpichfsup.a
> > libpmpich.a
> > libpmpich++.a
> >
> > Any suggestions? Does the error mean I have a
> > imcomplete mpich lib? mpich test passed.
> >
> > Thanks,
> >
> > chen
> >
> >
> > make[2]: Leaving directory `/home/amber8/src/lmod'
> > ifc -static -quiet -Vaxlib -FR -o sander trace.o
> > lmod.o decomp.o icosasurf.o egb.o findmask.o
> > pb_force.o sander.o cshf.o noecalc.o noeread.o
> > caldis.o calrate.o dinten.o drates.o indexn.o
> kmat.o
> > pearsn.o plane.o remarc.o nmrcal.o nmrred.o
> restal.o
> > getnat.o nmrnrg.o modwt.o disnrg.o angnrg.o
> tornrg.o
> > nmrprt.o nmrgrp.o nmrcms.o nmrcmf.o impnum.o
> nmrsht.o
> > at2res.o chklin.o opnmrg.o printe.o runmin.o
> ndvprt.o
> > force.o rdparm.o mdread.o locmem.o runmd.o
> getcor.o
> > r6ave.o r6drv.o aveint.o degcnt.o corf.o threeb.o
> > tripl.o nmrrad.o decnvh.o fastwt.o echoin.o
> parallel.o
> > jnrg.o shake.o ene.o mdwrit.o minrit.o set.o
> setmm.o
> > dynlib.o mdfil.o nmlsrc.o ew_force.o ew_setup.o
> > ew_box.o ew_bspline.o ew_fft.o ew_direct.o
> ew_recip.o
> > pcshift.o align.o rstack.o istack.o rfree.o
> rgroup.o
> > random.o lsqfit.o amopen.o debug.o ew_recip_reg.o
> > ew_handle_dips.o ew_dipole_recip.o mexit.o
> new_time.o
> > extra_pts.o thermo_int.o matinv.o assert.o mmtsb.o
> > mmtsb_client.o erfcfun.o veclib.o mdm.o pb_init.o
> > constantph.o prn_dipoles.o \
> > ../lmod/lmod.a -L/home/mpich-1.2.5.2/lib
> > -lmpich -lmpichf90 \
> > ../lapack/lapack.a ../blas/blas.a
> > ../lib/nxtsec.o ../lib/sys.a
> > /usr/bin/ld: cannot find -lmpichf90
> > make[1]: *** [sander] Error 1
> > make[1]: Leaving directory
> `/home/amber8/src/sander'
> > make: *** [parallel] Error 2
> >
> >
> >
> >
> >
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Received on Fri Apr 23 2004 - 23:53:00 PDT
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