Re: [gmx-users] error compiling gmx 4.5 on Mac 10.6.4

2010-08-03 Thread Sander Pronk
Hi Alan,

I've fixed that bug yesterday; the fix should be in yesterday's new beta. 
Thanks for the bug report,

Sander


On 31 Jul 2010, at 12:41 , Alan wrote:

> Hi there,
> 
> I am trying gmx 4.5 beta on Mac SL 10.6.4 with Fink, doing:
> 
> ./configure CPPFLAGS="-I/sw/include" LDFLAGS="-L/sw/lib" --enable-shared 
> --with-gsl --with-x
> 
> and then 'make' failed with:
> 
> (cd .libs/libgmx.lax/libthread_mpi.a && ar x 
> /Users/alan/Downloads/gromacs-4.5-beta1/src/gmxlib/thread_mpi/.libs/libthread_mpi.a)
> cc  -dynamiclib  -o .libs/libgmx.6.dylib  .libs/3dview.o .libs/atomprop.o 
> .libs/bondfree.o .libs/calcgrid.o .libs/calch.o .libs/chargegroup.o 
> .libs/checkpoint.o .libs/confio.o .libs/copyrite.o .libs/disre.o 
> .libs/do_fit.o .libs/enxio.o .libs/ewald_util.o .libs/ffscanf.o 
> .libs/filenm.o .libs/futil.o .libs/gbutil.o .libs/gmx_fatal.o 
> .libs/gmx_sort.o .libs/gmxcpp.o .libs/gmxfio.o .libs/ifunc.o .libs/index.o 
> .libs/inputrec.o .libs/cinvsqrtdata.o .libs/invblock.o .libs/macros.o 
> .libs/orires.o .libs/sparsematrix.o .libs/main.o .libs/maths.o .libs/matio.o 
> .libs/mshift.o .libs/mtop_util.o .libs/mtxio.o .libs/mvdata.o .libs/names.o 
> .libs/network.o .libs/nrama.o .libs/nrjac.o .libs/nrnb.o .libs/pargs.o 
> .libs/pbc.o .libs/pdbio.o .libs/princ.o .libs/rando.o .libs/random.o 
> .libs/gmx_random.o .libs/rbin.o .libs/readinp.o .libs/replace.o .libs/rmpbc.o 
> .libs/shift_util.o .libs/sortwater.o .libs/smalloc.o .libs/statutil.o 
> .libs/sfactor.o .libs/strdb.o .libs/string2.o .libs/symtab.o .libs/topsort.o 
> .libs/tpxio.o .libs/trnio.o .libs/trxio.o .libs/txtdump.o .libs/typedefs.o 
> .libs/viewit.o .libs/warninp.o .libs/wgms.o .libs/wman.o .libs/writeps.o 
> .libs/xdrd.o .libs/xtcio.o .libs/xvgr.o .libs/libxdrf.o .libs/gmx_arpack.o 
> .libs/gmx_matrix.o .libs/dihres.o .libs/tcontrol.o .libs/splitter.o 
> .libs/gmx_cyclecounter.o .libs/gmx_system_xdr.o .libs/md5.o .libs/vmdio.o 
> .libs/vmddlopen.o .libs/sighandler.o .libs/oenv.o .libs/gmxfio_rw.o 
> .libs/gmxfio_asc.o .libs/gmxfio_bin.o .libs/gmxfio_xdr.o  
> .libs/libgmx.lax/libnonbonded.a/nb_free_energy.o 
> .libs/libgmx.lax/libnonbonded.a/nb_generic.o 
> .libs/libgmx.lax/libnonbonded.a/nb_generic_cg.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel010.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel010_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel020.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel030.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel030_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel100.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel100_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel101.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel101_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel102.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel102_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel103.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel103_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel104.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel104_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel110.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel110_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel111.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel111_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel112.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel112_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel113.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel113_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel114.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel114_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel120.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel121.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel122.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel123.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel124.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel130.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel130_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel131.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel131_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel132.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel132_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel133.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel133_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel134.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel134_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel200.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel200_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel201.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel201_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel202.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel202_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel203.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel203_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel204.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel204_x86_64_sse.o 
> .libs/libgmx.lax/libnonbonded.a/nb_kernel2

[gmx-users] error compiling gmx 4.5 on Mac 10.6.4

2010-07-31 Thread Alan
Hi there,

I am trying gmx 4.5 beta on Mac SL 10.6.4 with Fink, doing:

./configure CPPFLAGS="-I/sw/include" LDFLAGS="-L/sw/lib" --enable-shared
--with-gsl --with-x

and then 'make' failed with:

(cd .libs/libgmx.lax/libthread_mpi.a && ar x
/Users/alan/Downloads/gromacs-4.5-beta1/src/gmxlib/thread_mpi/.libs/libthread_mpi.a)
cc  -dynamiclib  -o .libs/libgmx.6.dylib  .libs/3dview.o .libs/atomprop.o
.libs/bondfree.o .libs/calcgrid.o .libs/calch.o .libs/chargegroup.o
.libs/checkpoint.o .libs/confio.o .libs/copyrite.o .libs/disre.o
.libs/do_fit.o .libs/enxio.o .libs/ewald_util.o .libs/ffscanf.o
.libs/filenm.o .libs/futil.o .libs/gbutil.o .libs/gmx_fatal.o
.libs/gmx_sort.o .libs/gmxcpp.o .libs/gmxfio.o .libs/ifunc.o .libs/index.o
.libs/inputrec.o .libs/cinvsqrtdata.o .libs/invblock.o .libs/macros.o
.libs/orires.o .libs/sparsematrix.o .libs/main.o .libs/maths.o .libs/matio.o
.libs/mshift.o .libs/mtop_util.o .libs/mtxio.o .libs/mvdata.o .libs/names.o
.libs/network.o .libs/nrama.o .libs/nrjac.o .libs/nrnb.o .libs/pargs.o
.libs/pbc.o .libs/pdbio.o .libs/princ.o .libs/rando.o .libs/random.o
.libs/gmx_random.o .libs/rbin.o .libs/readinp.o .libs/replace.o
.libs/rmpbc.o .libs/shift_util.o .libs/sortwater.o .libs/smalloc.o
.libs/statutil.o .libs/sfactor.o .libs/strdb.o .libs/string2.o
.libs/symtab.o .libs/topsort.o .libs/tpxio.o .libs/trnio.o .libs/trxio.o
.libs/txtdump.o .libs/typedefs.o .libs/viewit.o .libs/warninp.o .libs/wgms.o
.libs/wman.o .libs/writeps.o .libs/xdrd.o .libs/xtcio.o .libs/xvgr.o
.libs/libxdrf.o .libs/gmx_arpack.o .libs/gmx_matrix.o .libs/dihres.o
.libs/tcontrol.o .libs/splitter.o .libs/gmx_cyclecounter.o
.libs/gmx_system_xdr.o .libs/md5.o .libs/vmdio.o .libs/vmddlopen.o
.libs/sighandler.o .libs/oenv.o .libs/gmxfio_rw.o .libs/gmxfio_asc.o
.libs/gmxfio_bin.o .libs/gmxfio_xdr.o
 .libs/libgmx.lax/libnonbonded.a/nb_free_energy.o
.libs/libgmx.lax/libnonbonded.a/nb_generic.o
.libs/libgmx.lax/libnonbonded.a/nb_generic_cg.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel010.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel010_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel020.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel030.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel030_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel100.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel100_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel101.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel101_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel102.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel102_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel103.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel103_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel104.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel104_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel110.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel110_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel111.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel111_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel112.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel112_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel113.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel113_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel114.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel114_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel120.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel121.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel122.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel123.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel124.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel130.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel130_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel131.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel131_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel132.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel132_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel133.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel133_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel134.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel134_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel200.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel200_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel201.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel201_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel202.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel202_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel203.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel203_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel204.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel204_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel210.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel210_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel211.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel211_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel212.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel212_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel213.o
.libs/libgmx.lax/libnonbonded.a/nb_kernel213_x86_64_sse.o
.libs/libgmx.lax/libnonbonded.a/