Re: AMBER: compile amber8 in linux with ifort

From: Viktor Hornak <hornak.csb.sunysb.edu>
Date: Fri, 23 Apr 2004 17:49:49 -0400

you may find instructions for compiling amber8 with ifort and mpich on
the following page useful:
http://amber.scripps.edu/cluster_info

-Viktor

quch quch wrote:

>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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