Hi,
It seems you try to link with MPICH2 library. Check whether you have
installed MPICH2 not MPICH. If not, upgrade to newer version or choose
other configure option. Although I do not have amber9 source, I guess they
still support old -mpich option.
best regards
qxb
On 11/29/05, Ilyas Yildirim < <mailto:yildirim.pas.rochester.edu>
yildirim.pas.rochester.edu> wrote:
Dear All,
I have updated the latest code from chagall and succesfully compiled the
serial version of AMBER 8. When I try to compiled the parallel version,
following the 'parallel installation protocol' I am ending with an error
message as follows:
-------------------------------------------
cd ../lmod; cp lmodprmtop ../../exe; chmod 0755 ../../exe/lmodprmtop
ifort -FR -o sander evb_vars.o evb_ntrfc.o evb_input.o check_input.o
evb_io.o evb_drvr.o evb_keywrd.o exchange_CM.o evb_mcp.o evb_matrix.o
evb_force.o diabatic.o evb_2stdebug.o constants.o stack.o qmmm_module.o
trace.o lmod.o decomp.o icosasurf.o egb.o findmask.o pb_force.o
relax_mat.o
nmr.o multisander.o sander.o trajene.o cshf.o nmrcal.o pearsn.o printe.o
runmin.o force.o rdparm.o mdread.o locmem.o runmd.o getcor.o degcnt.o
decnvh.o fastwt.o parallel.o shake.o ene.o mdwrit.o minrit.o set.o
dynlib.o
mdfil.o nmlsrc.o ew_force.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o
nonbond_list.o short_ene.o ew_recip.o pcshift.o align.o rfree.o rgroup.o
random.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 pb_init.o constantph.o prn_dipoles.o
neb.o
ips.o sglds.o amoeba_valence.o amoeba_multipoles.o amoeba_recip.o
amoeba_interface.o amoeba_direct.o amoeba_mdin.o amoeba_adjust.o
amoeba_self.o amoeba_vdw.o amoeba_induced.o amoeba_runmd.o bintraj.o
qm_mm.o
qm_link_atoms.o qm_nb_list.o qm_extract_coords.o qm_ewald.o qm_gb.o
qm_zero_charges.o qm_print_info.o qm_assign_atom_types.o
qm2_allocate_e_repul.o qm2_calc_charges.o qm2_calc_rij_and_eqns.o
qm2_dhc.o
qm2_dihed.o qm2_energy.o qm2_fock.o qm2_get_qm_forces.o
qm2_get_qmmm_forces.o qm2_h1elec.o qm2_hcore_qmqm.o qm2_hcore_qmmm.o
qm2_helect.o qm2_identify_peptide_links.o qm2_load_params_and_allocate.o
qm2_repp.o qm2_rotate_qmqm.o qm2_scf.o qm2_setup_orb_exp.o
qm2_smallest_number.o \
../lmod/lmod.a -L/usr/local/mpich/lib -lfmpich2g -lmpi
../lapack/lapack.a ../blas/blas.a \
../lib/nxtsec.o ../lib/sys.a
ld: cannot find -lfmpich2g
make[1]: *** [sander] Error 1
make[1]: Leaving directory /home/yildirim/amber9/src/sander'
make: *** [parallel] Error 2
arde00:/home/yildirim/amber9/src>
------------------------------------------------------
I could install the parallel ver. before, but not anymore after I have
updated AMBER 9. Can someone tell me what might be the problem? I am
guessing that something in MPICH protocol is changed, or? Thanks.
Best,
--
Ilyas Yildirim
---------------------------------------------------------------
- Department of Chemisty - -
- University of Rochester - -
- Hutchison Hall, # B10 - -
- Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
- <http://www.pas.rochester.edu/%7Eyildirim/>
http://www.pas.rochester.edu/~yildirim/ -
---------------------------------------------------------------
--
... there have been two really clean,
consistent models of programming so far:
the C model and the Lisp model.
These two seem points of high ground,
with swampy lowlands between them.
--Paul Graham
Received on Wed Apr 05 2006 - 23:49:47 PDT
