Re: [AMBER-Developers] Sander parallel build broken by PBSA updates

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Sat, 5 Mar 2016 16:01:55 -0500

ok, so I repeated the build for serial and openmp with -j24.
Everything went smoothly, no error (just pull the recent commit from
Dan: 344c8b2a5998d6aa0c865a3c8bc889f2dd44fb37)

Hai


On Sat, Mar 5, 2016 at 3:38 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:

> But I want to stress that the error happens seem randomly. In most trials,
> the builds were finished without errors.
>
> > Did this
> happen in the middle of making sander or something else?
>
> .Ray: Let me reproduce the error and report later.
>
> Hai
>
>
> On Sat, Mar 5, 2016 at 3:36 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>
>> -j8 works fine for serial build (I am testing openmp build now). I used
>> -j24 since my node has 24 cores.
>>
>> Hai
>>
>>
>> On Sat, Mar 5, 2016 at 3:34 PM, Daniel Roe <daniel.r.roe.gmail.com>
>> wrote:
>>
>>> On Sat, Mar 5, 2016 at 12:36 AM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>>> > FYI: I've just tried "*make install -j24"* in another machine and got
>>> error
>>>
>>> I wonder if "make" with 24 threads is simply testing the limits of the
>>> already complex and fragile network of dependencies that sander
>>> has...does the problem happen at lower "make" thread counts?
>>>
>>> -Dan
>>>
>>> >
>>> > "Fatal Error: Can't rename module file 'pbtimer_module.mod0' to
>>> > 'pbtimer_module.mod': No such file or directory
>>> > make[2]: *** [timer.o] Error 1
>>> > make[2]: *** Waiting for unfinished jobs....
>>> > make[2]: Leaving directory
>>> >
>>> `/gpfs/gpfs/project1/dacase-001/haichit/amber/amber/AmberTools/src/pbsa'
>>> > make[1]: *** [serial] Error 2
>>> > make[1]: Leaving directory
>>> > `/gpfs/gpfs/project1/dacase-001/haichit/amber/amber/AmberTools/src'
>>> > make: *** [install] Error 2
>>> > "
>>> >
>>> > info: gcc 4.4.7, Linux, 24 cores/node; use "*git clean -fdx .*" then
>>> > "*./configure
>>> > -noX11 gnu*" then "*make install -j24*"; git
>>> > commit: 570e427eaf02a99d81e6bf1c36d7d3a51a27c529 (today)
>>> >
>>> > *However*, this error seems happened randomly, sometimes the install
>>> > finished without any errors.
>>> >
>>> > Hai
>>> >
>>> > On Thu, Feb 18, 2016 at 3:54 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>>> >
>>> >> I just tried "make -j 8 install" for serial build and ok with my
>>> machine
>>> >> too.
>>> >>
>>> >> Hai
>>> >>
>>> >> On Thu, Feb 18, 2016 at 3:36 PM, Ray Luo <rluo.uci.edu> wrote:
>>> >>
>>> >>> Gerald,
>>> >>>
>>> >>> Your fix also worked on my side! Thanks a lot!
>>> >>>
>>> >>> I used "make -j 8 install" though I skipped python install in both
>>> the
>>> >>> serial and parallel tests.
>>> >>>
>>> >>> 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 Thu, Feb 18, 2016 at 11:23 AM, Ray Luo <rluo.uci.edu> wrote:
>>> >>> > Thanks, I'm downloading your fix ...
>>> >>> >
>>> >>> > Also, the python-related installation seems to mess up the
>>> dependence
>>> >>> > issue whether I use single or multi-thread make ... I don't know
>>> why
>>> >>> > my changes in pbsa and sander have caused this to break.
>>> >>> >
>>> >>> > 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 Thu, Feb 18, 2016 at 11:08 AM, Gerald Monard
>>> >>> > <Gerald.Monard.univ-lorraine.fr> wrote:
>>> >>> >> Hi,
>>> >>> >>
>>> >>> >> I think that I found a fix. The problem was in the makedepend
>>> program
>>> >>> in
>>> >>> >> pbsa/ that had not been updated. That should work now. Can anybody
>>> >>> test?
>>> >>> >>
>>> >>> >> Best,
>>> >>> >>
>>> >>> >> Gerald.
>>> >>> >>
>>> >>> >> On 02/18/2016 07:01 PM, Ross Walker wrote:
>>> >>> >>> I second this - I tried to disable PBSA building for now but of
>>> >>> course it is linked into Sander etc so we'd disabling Sander as well.
>>> >>> >>>
>>> >>> >>> I'd suggest spending a few hours trying to fix it and if you
>>> can't
>>> >>> the checkin should be reversed until this is fixed.
>>> >>> >>>
>>> >>> >>> Serial builds really aren't a viable option these days - try
>>> doing a
>>> >>> serial build on a Xeon Phi and you'll understand. :-(
>>> >>> >>>
>>> >>> >>> All the best
>>> >>> >>> Ross
>>> >>> >>>
>>> >>> >>>> On Feb 18, 2016, at 9:13 AM, Daniel Roe <daniel.r.roe.gmail.com
>>> >
>>> >>> wrote:
>>> >>> >>>>
>>> >>> >>>> On Wed, Feb 17, 2016 at 6:04 PM, Ray Luo, Ph.D. <
>>> ray.luo.uci.edu>
>>> >>> wrote:
>>> >>> >>>>> Ross,
>>> >>> >>>>>
>>> >>> >>>>> Please pull again to see whether it fixed the build problem on
>>> your
>>> >>> >>>>> side. Looks like multi-thread make does not work ... Too many
>>> >>> >>>>> dependence issues ...
>>> >>> >>>>
>>> >>> >>>> The multi-threaded build definitely doesn't work for me when I
>>> hit
>>> >>> pbsa stuff:
>>> >>> >>>>
>>> >>> >>>> $ make -j6 install
>>> >>> >>>> ...
>>> >>> >>>> make[2]: Entering directory
>>> >>> '/home/droe/Amber/GIT/amber/AmberTools/src/pbsa'
>>> >>> >>>> gcc -c -O3 -mtune=native -fPIC ...
>>> >>> >>>> ...
>>> >>> >>>> Makefile:238: recipe for target 'pb_p3m.LIBPBSA.o' failed
>>> >>> >>>> Makefile:238: recipe for target 'pb_fdfrc.LIBPBSA.o' failed
>>> >>> >>>>
>>> >>> >>>> Amber is pretty large nowadays, and not being able to build in
>>> >>> >>>> parallel is a real drawback. We can currently get around this by
>>> >>> >>>> adding a '.NOTPARALLEL' target to the pbsa Makefile (or forcing
>>> -j1),
>>> >>> >>>> but ideally I think the multi-threaded build should be fixed.
>>> >>> >>>>
>>> >>> >>>> -Dan
>>> >>> >>>>
>>> >>> >>>>>
>>> >>> >>>>> 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 Wed, Feb 17, 2016 at 12:59 PM, Ray Luo, Ph.D. <
>>> ray.luo.uci.edu>
>>> >>> wrote:
>>> >>> >>>>>> Okay, I think I've fixed it. Don't know why the same makefile
>>> >>> works in
>>> >>> >>>>>> amber15 but doesn't work in amber16. I'm testing all the
>>> >>> >>>>>> sander/pbsa/nab combs to make sure all can build without
>>> >>> interruption
>>> >>> >>>>>> and also pass the tests.
>>> >>> >>>>>>
>>> >>> >>>>>> 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 10:34 PM, Ray Luo, Ph.D. <
>>> ray.luo.uci.edu>
>>> >>> wrote:
>>> >>> >>>>>>> Finally I can reproduce your problem in building the MPI
>>> sander
>>> >>> ...
>>> >>> >>>>>>>
>>> >>> >>>>>>> Will get it fixed tomorrow morning ...
>>> >>> >>>>>>>
>>> >>> >>>>>>> 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 10:17 PM, Ray Luo, Ph.D. <
>>> ray.luo.uci.edu>
>>> >>> wrote:
>>> >>> >>>>>>>> Hi Ross,
>>> >>> >>>>>>>>
>>> >>> >>>>>>>> Looks like that there is no extra untracked file at least
>>> in all
>>> >>> the
>>> >>> >>>>>>>> src folders, though there were indeed two .swp files in the
>>> test
>>> >>> >>>>>>>> cases. So I think lack of "git clean -fdx" is not the
>>> problem.
>>> >>> I've
>>> >>> >>>>>>>> finished the serial build and is running
>>> "test.sander.BASIC".
>>> >>> Looking
>>> >>> >>>>>>>> good, so far.
>>> >>> >>>>>>>>
>>> >>> >>>>>>>> I'll do the MPI build next after another "git clean -fdx"
>>> ...
>>> >>> >>>>>>>>
>>> >>> >>>>>>>> However, I think one possible reason could be the use of
>>> >>> multi-thread
>>> >>> >>>>>>>> in make. There may be inter-dependent issues involved.
>>> >>> >>>>>>>>
>>> >>> >>>>>>>> I'll do some experiment with the MPI build to see whether
>>> this
>>> >>> is the cause.
>>> >>> >>>>>>>>
>>> >>> >>>>>>>> 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 8:24 PM, Ross Walker <
>>> >>> ross.rosswalker.co.uk> wrote:
>>> >>> >>>>>>>>> Hi Ray,
>>> >>> >>>>>>>>>
>>> >>> >>>>>>>>> It's not about whether you compiled in that folder - it is
>>> >>> whether you maybe edited files in that folder that you never
>>> committed /
>>> >>> pushed. Try doing:
>>> >>> >>>>>>>>>
>>> >>> >>>>>>>>> git clean -f -d -x
>>> >>> >>>>>>>>> git status
>>> >>> >>>>>>>>>
>>> >>> >>>>>>>>> And see what it reports.
>>> >>> >>>>>>>>>
>>> >>> >>>>>>>>> All the best
>>> >>> >>>>>>>>> Ross
>>> >>> >>>>>>>>>
>>> >>> >>>>>>>>>> On Feb 16, 2016, at 23:04, Ray Luo <rluo.uci.edu> wrote:
>>> >>> >>>>>>>>>>
>>> >>> >>>>>>>>>> Hi Ross,
>>> >>> >>>>>>>>>>
>>> >>> >>>>>>>>>> Yes, I think my folder is clean since I have never
>>> compiled
>>> >>> anything
>>> >>> >>>>>>>>>> in my amber git folder. Every time after syncing with the
>>> >>> master
>>> >>> >>>>>>>>>> branch, I copy the whole master branch to a new folder for
>>> >>> compiling
>>> >>> >>>>>>>>>> and testing.
>>> >>> >>>>>>>>>>
>>> >>> >>>>>>>>>> I'm about to test this evening's synced version, but will
>>> do
>>> >>> "git
>>> >>> >>>>>>>>>> clean -fxd" before configuring/compiling. Maybe this is
>>> why.
>>> >>> >>>>>>>>>>
>>> >>> >>>>>>>>>> By the way, could you add my uci email to the mailing
>>> list as
>>> >>> well,
>>> >>> >>>>>>>>>> i.e. "ray.luo.uci.edu"?
>>> >>> >>>>>>>>>>
>>> >>> >>>>>>>>>> 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 7:51 PM, Ross Walker <
>>> >>> ross.rosswalker.co.uk> wrote:
>>> >>> >>>>>>>>>>> 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
>>> >>> >>>>>>>>>>>
>>> >>> >>>>>>>>>
>>> >>> >>>>>
>>> >>> >>>>> _______________________________________________
>>> >>> >>>>> AMBER-Developers mailing list
>>> >>> >>>>> AMBER-Developers.ambermd.org
>>> >>> >>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >>> >>>>
>>> >>> >>>>
>>> >>> >>>>
>>> >>> >>>> --
>>> >>> >>>> -------------------------
>>> >>> >>>> Daniel R. Roe, PhD
>>> >>> >>>> Department of Medicinal Chemistry
>>> >>> >>>> University of Utah
>>> >>> >>>> 30 South 2000 East, Room 307
>>> >>> >>>> Salt Lake City, UT 84112-5820
>>> >>> >>>> http://home.chpc.utah.edu/~cheatham/
>>> >>> >>>> (801) 587-9652
>>> >>> >>>> (801) 585-6208 (Fax)
>>> >>> >>>>
>>> >>> >>>> _______________________________________________
>>> >>> >>>> AMBER-Developers mailing list
>>> >>> >>>> AMBER-Developers.ambermd.org
>>> >>> >>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >>> >>>
>>> >>> >>>
>>> >>> >>> _______________________________________________
>>> >>> >>> AMBER-Developers mailing list
>>> >>> >>> AMBER-Developers.ambermd.org
>>> >>> >>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >>> >>>
>>> >>> >>
>>> >>> >> --
>>> >>> >>
>>> >>>
>>> ____________________________________________________________________________
>>> >>> >>
>>> >>> >> Prof. Gerald MONARD
>>> >>> >> SRSMC, Université de Lorraine, CNRS
>>> >>> >> Boulevard des Aiguillettes B.P. 70239
>>> >>> >> F-54506 Vandoeuvre-les-Nancy, FRANCE
>>> >>> >>
>>> >>> >> e-mail : Gerald.Monard.univ-lorraine.fr
>>> >>> >> tel. : +33 (0)383.684.381
>>> >>> >> fax : +33 (0)383.684.371
>>> >>> >> web : http://www.monard.info
>>> >>> >>
>>> >>> >>
>>> >>>
>>> ____________________________________________________________________________
>>> >>> >>
>>> >>> >>
>>> >>> >> _______________________________________________
>>> >>> >> AMBER-Developers mailing list
>>> >>> >> AMBER-Developers.ambermd.org
>>> >>> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >>>
>>> >>> _______________________________________________
>>> >>> AMBER-Developers mailing list
>>> >>> AMBER-Developers.ambermd.org
>>> >>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >>>
>>> >>
>>> >>
>>> > _______________________________________________
>>> > AMBER-Developers mailing list
>>> > AMBER-Developers.ambermd.org
>>> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>
>>>
>>>
>>> --
>>> -------------------------
>>> Daniel R. Roe, PhD
>>> Department of Medicinal Chemistry
>>> University of Utah
>>> 30 South 2000 East, Room 307
>>> Salt Lake City, UT 84112-5820
>>> http://home.chpc.utah.edu/~cheatham/
>>> (801) 587-9652
>>> (801) 585-6208 (Fax)
>>>
>>> _______________________________________________
>>> AMBER-Developers mailing list
>>> AMBER-Developers.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>
>>
>>
>
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