Dear all,
I tried to compile AMBER12 in parallel, by first configuring:
./configure -mpi gnu
And then compiling with 'make install'.
After MMPBSA.py.MPI is compiled successfully, I get the following errors
(to do with coupling to Terachem as external QM code it seems):
qm2_extern_tc_module.o: In function
`__qm2_extern_tc_module_MOD_connect_to_terachem':
qm2_extern_tc_module.F90:(.text+0x4a53): undefined reference to
`mpi_lookup_name_'
qm2_extern_tc_module.F90:(.text+0x4dba): undefined reference to
`mpi_comm_connect_'
collect2: ld returned 1 exit status
That ends the compilation process.
I don't need the terachem interface, but perhaps this points to further
problems.
If people more experienced in compiling AMBER (i.e. almost anyone...) can
indicate a workaround, that would be great.
Thanks!
Marc
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Received on Thu Apr 11 2013 - 03:30:02 PDT
