Dear Amber Users:
I met a problem when I want to install a parallel version of amber8 on a
supercomputer. I followed the instruction in manual and when the command
"make
parallel" was executed I met the following error information:
ranlib lmod.a
make[2]: Leaving directory `/nfs/s1r1p2/xinchen/amber8/src/lmod'
ifort -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 -lmpi \
../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
ld: cannot find -lmpi
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/nfs/s1r1p2/xinchen/amber8/src/sander'
make: *** [parallel] Error 2
Thank you for your help!
Best Regards
Yongzhi
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Received on Tue May 25 2004 - 22:53:00 PDT
