Hi Ray,
If I do this - on my OSX laptop (GCC 4.9.3), MPICH version 3.1.4
git pull
git clean -f -d -x
git status
On branch master
Your branch is up-to-date with 'origin/master'.
nothing to commit, working directory clean
./configure -mpi gnu
make install
...
...
dnrm2.F90:113.24:
ASSIGN 110 TO NEXT
1
Warning: Deleted feature: ASSIGN statement at (1)
mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC -ffree-form -I/Users/rcw/amber/amber/include -I/Users/rcw/amber/amber/include -o dcopy.o dcopy.F90
mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC -ffree-form -I/Users/rcw/amber/amber/include -I/Users/rcw/amber/amber/include -o pb_force.o pb_force.F90
pb_force.F90:292.77:
sa_init, sa_driver, sa_free, sa_free_mb, &
1
Error: Symbol 'saslave_init' referenced at (1) not found in module 'solvent_accessibility'
make[3]: *** [pb_force.o] Error 1
make[2]: *** [libpbsa] Error 2
make[1]: *** [parallel] Error 2
make: *** [install] Error 2
Same problem. Are you sure you have the latest tree and it is clean and doesn't have any modified files locally or files you forgot to add?
All the best
Ross
> On Feb 16, 2016, at 15:56, Ray Luo, Ph.D. <ray.luo.uci.edu> wrote:
>
> Hi Ross,
>
> So far I can "configure -mpi gnu", "make install", and can also pass
> "make sander.BASIC.MPI". I'm running "make test.parallel.MM". I'm
> using "mpirun -np 4" for the mpi jobs. This is on Rocks 6.1/Centos
> 6.1. Which step was the problem?
>
> However I disabled "pbsa_mbfocus" in AmberTools/test/ since I'm in the
> process of removing this feature to accommodate incoming CUDA. I also
> need to update the test cases for sander/nab/mmpbsa ... which will be
> partially in today for sander/nab. I'm trying to get mmpbsa.py to work
> with the new python environment.
>
> All the best,
> Ray
> --
> Ray Luo, Ph.D.
> Professor
> Biochemistry, Molecular Biophysics, Chemical Physics,
> Chemical and Biomedical Engineering
> University of California, Irvine, CA 92697-3900
>
>
> On Tue, Feb 16, 2016 at 10:21 AM, Ray Luo, Ph.D. <ray.luo.uci.edu> wrote:
>> Hi Ross,
>>
>> I'm looking into this ... There was a major overhaul of the code in
>> addition to new features in the last check in.
>>
>> All the best,
>>
>> Ray
>>
>> --
>> Ray Luo, Ph.D.
>> Professor
>> Biochemistry, Molecular Biophysics, Chemical Physics,
>> Chemical and Biomedical Engineering
>> University of California, Irvine, CA 92697-3900
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Received on Tue Feb 16 2016 - 20:00:04 PST
