Justin A. Lemkul wrote:

To follow up just a bit more - it appears that this problem is isolated to the PowerPC architecture. I can compile and install RC4 on my own laptop (a recent Intel Mac) with no problems.
Not sure that I can help, but Erik recently fixed a bug report related to CPU detection on Macs. Is your cluster running MacOS or Linux?

-Justin

Justin A. Lemkul wrote:

A follow-up to my previous message: I've just compiled RC2 and RC3 to confirm that nothing has changed within our system configuration; both RC2 and RC3 compile and install with no problems using the procedure in my previous message.

I am still faced with the fact that RC4 will not compile.  Any ideas?

-Justin

Justin A. Lemkul wrote:

Hi,

I've been working to install the latest release candidate from Gromacs 4.0; I have installed RC1 and RC2 without any problems on our cluster. We are running Mac OSX 10.3.9 on PowerPC nodes (G5 processors). My installation process for installing mdrun is really pretty textbook:

./configure --program-suffix=_mpi --enable-mpi
make mdrun
make install-mdrun

This has always worked. With RC4, I get the following during compilation (sorry, it's long):

ld: common symbols not allowed with MH_DYLIB output format with the -multi_module option ld: common symbols not allowed with MH_DYLIB output format with the -multi_module option
//usr/bin/libtool: nfs/internal link edit command failedcompilers/
mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_dtes (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initutil.o) definition of common _MPIR_errhandlers (size 4)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(mpid_init.o) definition of common _MPID_MyWorldRank (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(mpid_init.o) definition of common _MPID_MyWorldSize (size 4)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initutil.o) definition of common _MPIR_fdtels (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initutil.o) definition of common _MPIR_qels (size 4)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initutil.o) definition of common _MPIR_tid (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initutil.o) definition of common _MPIR_topo_els (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_All_communicators (size 8) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(mpid_init.o) definition of common _MPIR_rhandles (size 4)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(mpid_init.o) definition of common _MPIR_shandles (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(dreg.o) definition of common _hpc_mem (size 4)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(dreg.o) definition of common _hpc_mem_size (size 4)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(queue.o) definition of common _MPID_recvs (size 16) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_2COMPLEX (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_2DCOMPLEX (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_2DOUBLE (size 104)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_2DOUBLE_PRECISION (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_2FLOAT (size 104)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_2INTEGER (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_2REAL (size 104)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_COMPLEX (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_DCOMPLEX (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_DOUBLE_PRECISION (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_INTEGER (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_LOGICAL (size 104)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_I_REAL (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_int1_dte (size 104)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_int2_dte (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_int4_dte (size 104)/nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_real4_dte (size 104) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfutil.o) definition of common _MPIR_real8_dte (size 104)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_2INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_BYTE (size 104)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_CHAR (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_DOUBLE (size 104)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_DOUBLE_INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_FLOAT (size 104)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_FLOAT_INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_INT (size 104)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_LB (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_LONG (size 104)/nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_LONG_DOUBLE (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_LONG_DOUBLE_INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_LONG_INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_LONG_LONG_INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_PACKED (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_SHORT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_SHORT_INT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_UB (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_UCHAR (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_UINT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_ULONG (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPIR_I_USHORT (size 104) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPI_DOUBLE_INT_var (size 16) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPI_FLOAT_INT_var (size 8) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPI_LONG_DOUBLE_INT_var (size 16) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPI_LONG_INT_var (size 8) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(initdte.o) definition of common _MPI_SHORT_INT_var (size 8) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(util_hbt.o) definition of common _MPIR_hbt_els (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(util_hbt.o) definition of common _MPIR_hbts (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(global_ops.o) definition of common _MPIR_Op_errno (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_c (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_cl (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_q (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_qel (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_qh (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_rh (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_s (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_sq (size 4) /nfs/compilers/mpich-1.2.5/lib/libpmpich.a(debugutil.o) definition of common _MPIR_debug_sqel (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(mpid_smpi.o) definition of common _smpi (size 9252) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(viapriv.o) definition of common _viadev (size 18492) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(dreg.o) definition of common _dreg_free_list (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(dreg.o) definition of common _dreg_table (size 262144) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(dreg.o) definition of common _dreg_unused_list (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(dreg.o) definition of common _dreg_unused_tail (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(mpid_smpi.o) definition of common _smpi_shmem (size 4) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(initfcmn.o) definition of common _mpipriv_ (size 36) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(viapriv.o) definition of common _nullsbuffer (size 1) /nfs/compilers/mpich-1.2.5/lib/libmpich.a(viapriv.o) definition of common _nullrbuffer (size 1)
make[2]: *** [libgmx_mpi.la] Error 1
make[1]: *** [all-recursive] Error 1


Does anyone know how to solve this? We use gcc-3.3/mpicc-3.3 with mpich-1.2.5; I have used these same compilers for all the Gromacs installations on this cluster. If I can provide any additional information, I'd be happy to do so.

Thanks for your attention.

-Justin





--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205. Fax: +4618511755.
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