Dear All,
I have successed compilation of Amber 8 on Linux cluster with "make serial"
and (almost) passed all tests.
Now I am compiling as parallel. My procedure is as follow:
1. install mpich-1.2.5.2
% cd /usr/local/mpich-1.2.5.2
% setenv CC gcc
% setenv FC ifort
% ./configure --prefix=/usr/local/mpich-1.2.5.2_gcc -cc=$CC -fc=$FC
% make
% make install
Everything was fine for mpich compilation
2. install Amber 8
% setenv MPICH_HOME /usr/local/mpich-1.2.5.2_gcc
% setenv AMBERHOME /usr/local/amber8
% make clean
% ./configure -mpich ifort
% make parallel
this process took some minutes and then I got error as
..
..
..
cd lmod; make
make[3]: Entering directory `/usr/local/amber8/src/lmod/lmod'
Makefile:6: warning: overriding commands for target `.f.o'
.../../config.h:79: warning: ignoring old commands for target `.f.o'
cpp -traditional -I/usr/local/mpich/include -P
-I/usr/local/amber8/src/include -DMPI lmod.f > _lmod.f
ifort -c -w95 -mp1 -ip -O3 -o lmod.o _lmod.f
make[3]: Leaving directory `/usr/local/amber8/src/lmod/lmod'
ar rv lmod.a xmin/*.o nvib/*.o lmod/*.o
a - xmin/xmin.o
a - nvib/nvib.o
a - lmod/lmod.o
ranlib lmod.a
make[2]: Leaving directory `/usr/local/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 -L/usr/local/mpich-1.2.5.2_g77/lib -lmpich -lU77 \
../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
/usr/bin/ld: cannot find -lU77
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/usr/local/amber8/src/sander'
make: *** [parallel] Error 2
What is "-lU77"? Could anyone please help me to over come such problem?
Thank you very much in advance.
Hungie
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Received on Tue May 25 2004 - 14:53:00 PDT
