hi,
Sorry for the lack of information - the OS system is a Linux. I have
been able to install the serial version of amber and the tests parsed
fine. My problems start with the parallel version where I make my
configure script like this
./configure_amber -mpi gfortran
in the config_amber.h file I change gfortran with mpif90 and add the
path to include the mpif.h file. So I get an error like this
/usr/bin/ld: cannot find -lnuma which is probably also a missing
linking library but I am not quite aware which one - below is the line
before the crash
Thanks
evb_bcast.o evb_dealloc.o check_input.o evb_io.o evb_keywrd.o
exchange_gauss.o exchange_warshel.o react_flux_init.o react_path.o
react_flux.o kappa_keck.o schlegel_dg.o schlegel_full.o
schlegel_diis.o schlegel_gmres.o schlegel_gbasis.o schlegel_pgbasis.o
bnd_strtch.o ang_bend.o dihed_tors.o torinternal.o evb_gfchk.o
bmat_inv.o bmat_grad.o unitv.o crossv.o cart2internal.o wdc_bmat.o
select_coord.o schlegel_uff.o schlegel_poh_uff.o schlegel_poh_irc.o
schlegel_hcn_cart.o schlegel_hcn_int_irc.o schlegel_hcn_cart_irc.o
evb_outoptions.o evb_2stdebug.o egap_umb_2stdebug.o dg_debug.o
evb_io_debug.o bmat_debug.o bmat_inv_debug.o evb_io_debug2.o
morse_anal2num.o xwarshel_anal2num.o xgauss_anal2num.o vdw_anal2num.o
rcdbonds_anal2num.o rcbond_anal2num.o dg_grad_anal2num.o evb_input.o
evb_alloc.o evb_matrix.o morsify.o mod_vdw.o evb_ntrfc.o evb_force.o
out_evb.o dbonds_anal2num.o bond_anal2num.o evb_umb.o
evb_umb_primitive.o qm_div.o force.o \
../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
../lib/nxtsec.o ../lib/sys.a mt19937.o ncsu-abmd-hooks.o
ncsu-bbmd-ctxt.o ncsu-bbmd-hooks.o ncsu-cftree.o ncsu-colvar-math.o
ncsu-colvar-type.o ncsu-colvar-utils.o ncsu-colvar.o ncsu-constants.o
ncsu-cv-ANGLE.o ncsu-cv-DISTANCE.o ncsu-cv-HANDEDNESS.o
ncsu-cv-MULTI_RMSD.o ncsu-cv-N_OF_BONDS.o ncsu-cv-N_OF_STRUCTURES.o
ncsu-cv-R_OF_GYRATION.o ncsu-cv-TORSION.o ncsu-lexer.o ncsu-parser.o
ncsu-pmd-hooks.o ncsu-rmsd.o ncsu-sander-hooks.o ncsu-sander-proxy.o
ncsu-smd-hooks.o ncsu-umbrella.o ncsu-utils.o ncsu-value.o -lmpi
/usr/bin/ld: cannot find -lnuma
collect2: ld returned 1 exit status
make[1]: *** [sander.MPI] Error 1
On Tue, Jul 24, 2012 at 3:44 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> What kind of system (OS version etc) are you trying to install on,
> what was your exact configure line, what type and version compilers
> are you using, and what bugfixes (if any) are applied?
>
> -Dan
>
> On Tue, Jul 24, 2012 at 3:34 PM, Jorgen Simonsen <jorgen589.gmail.com>
wrote:
>> Hi all,
>>
>> I get this error message when I try to install amber10 on a local cluster
>>
>> onfiguring netcdf; (may be time-consuming)
>> ./configure: line 22350: type: mpic++: not found
>> NETCDF configure succeeded.
>>
>> and later on I get this error
>>
>>
>> make[2]: Entering directory `/home/pg/amber10/src/netcdf/src'
>> Making install in f90
>> make[3]: Entering directory `/home/pg/amber10/src/netcdf/src/f90'
>> /bin/sh ../libtool --mode=compile gfortran -I../libsrc -I. -g -O2 -c
>> -o typeSizes.lo typeSizes.f90
>> libtool: compile: unable to infer tagged configuration
>> libtool: compile: specify a tag with `--tag'
>> make[3]: *** [typeSizes.lo] Error 1
>> make[3]: Leaving directory `/home/pg/amber10/src/netcdf/src/f90'
>> make[2]: *** [install-recursive] Error 1
>> make[2]: Leaving directory `/home/pg/amber10/src/netcdf/src'
>> make[1]: *** [netcdf.mod] Error 2
>> make[1]: Leaving directory `/home/pg/amber10/src/sander'
>> make: *** [serial] Error 2
>>
>> how to fix this?
>>
>> Thanks
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Lab Specialist
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 24 2012 - 23:30:04 PDT
