Re: [AMBER] Fwd: amber14 parallel build problems

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Wed, 18 Jan 2017 14:54:20 -0500

hi

side note: It's clearly that you did not attach two_par.out and one_par.out
files to amber mailing list.
You only sent to David.

Hai

On Wed, Jan 18, 2017 at 2:44 PM, Ada Sedova <ada.a.sedova.gmail.com> wrote:

> This was sent a few days ago with no response.
>
> Today I was told this info was not given.
>
> Here it is again.
>
>
> AS
>
>
> ---------- Forwarded message ----------
> From: Ada Sedova <ada.a.sedova.gmail.com>
> Date: Tue, Jan 17, 2017 at 11:19 AM
> Subject: Re: [AMBER] amber14 parallel build problems
> To: david.case.rutgers.edu
>
>
> Yes, I would like to continue to debug this, as getting OLCF to update to
> amber16 may be difficult, as it requires a purchase and thus a bunch of
> paperwork and bureaucratic steps.
>
> The output logs form sdtout and stderr from the failed mpi build are
> attached.
>
> The complete output from mpicc -show was given above in this thread, but I
> will repeat for convenience:
>
> -bash-4.1$ mpicc -show
> >
> > gcc -I/sw/rhea/openmpi/1.8.4/rhel6.6_gcc4.8.2/include -pthread
> > -L/usr/lib64
> > -Wl,-rpath -Wl,/usr/lib64 -Wl,-rpath
> > -Wl,/sw/rhea/openmpi/1.8.4/rhel6.6_gcc4.8.2/lib -Wl,--enable-new-dtags
> > -L/sw/rhea/openmpi/1.8.4/rhel6.6_gcc4.8.2/lib -lmpi
> >
>
> serial build:
>
> -bash-4.1$ ldd ./yacc
>
> linux-vdso.so.1 => (0x00007ffe30bfd000)
>
> libc.so.6 => /lib64/libc.so.6 (0x00007f3b7805c000)
>
> /lib64/ld-linux-x86-64.so.2 (0x00007f3b7841b000)
>
>
> parallel build:
>
> -bash-4.1$ ldd ./yacc
>
> linux-vdso.so.1 => (0x00007ffe86cf6000)
>
> libmpi.so.1 => /sw/rhea/openmpi/1.8.4/rhel6.6_gcc4.8.2/lib/libmpi.so.1
> (0x00007f29e89ac000)
>
> libpthread.so.0 => /lib64/libpthread.so.0 (0x00007f29e8764000)
>
> libc.so.6 => /lib64/libc.so.6 (0x00007f29e83d0000)
>
> librdmacm.so.1 => /usr/lib64/librdmacm.so.1 (0x00007f29e81bb000)
>
> libosmcomp.so.3 => /usr/lib64/libosmcomp.so.3 (0x00007f29e7fad000)
>
> libibverbs.so.1 => /usr/lib64/libibverbs.so.1 (0x00007f29e7d9b000)
>
> libpsm_infinipath.so.1 => /usr/lib64/libpsm_infinipath.so.1
> (0x00007f29e7b47000)
>
> libopen-rte.so.7 => /sw/rhea/openmpi/1.8.4/rhel6.
> 6_gcc4.8.2/lib/libopen-rte.so.7 (0x00007f29e7856000)
>
> libtorque.so.2 => /usr/lib64/libtorque.so.2 (0x00007f29e6f65000)
>
> libxml2.so.2 => /usr/lib64/libxml2.so.2 (0x00007f29e6c12000)
>
> libz.so.1 => /lib64/libz.so.1 (0x00007f29e69fb000)
>
> libcrypto.so.10 => /usr/lib64/libcrypto.so.10 (0x00007f29e6617000)
>
> libssl.so.10 => /usr/lib64/libssl.so.10 (0x00007f29e63aa000)
>
> libopen-pal.so.6 => /sw/rhea/openmpi/1.8.4/rhel6.
> 6_gcc4.8.2/lib/libopen-pal.so.6 (0x00007f29e60b9000)
>
> libnuma.so.1 => /usr/lib64/libnuma.so.1 (0x00007f29e5eae000)
>
> libdl.so.2 => /lib64/libdl.so.2 (0x00007f29e5caa000)
>
> librt.so.1 => /lib64/librt.so.1 (0x00007f29e5aa1000)
>
> libm.so.6 => /lib64/libm.so.6 (0x00007f29e581d000)
>
> libutil.so.1 => /lib64/libutil.so.1 (0x00007f29e561a000)
>
> /lib64/ld-linux-x86-64.so.2 (0x00007f29e8ec1000)
>
> libibumad.so.3 => /usr/lib64/libibumad.so.3 (0x00007f29e5412000)
>
> libgcc_s.so.1 => /ccs/compilers/gcc/rhel6-x86_64/4.8.2/lib64/libgcc_s.so.1
> (0x00007f29e51fc000)
>
> libnl.so.1 => /lib64/libnl.so.1 (0x00007f29e4faa000)
>
> libinfinipath.so.4 => /usr/lib64/libinfinipath.so.4 (0x00007f29e4d9b000)
>
> libuuid.so.1 => /lib64/libuuid.so.1 (0x00007f29e4b97000)
>
> libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x00007f29e4891000)
>
> libgssapi_krb5.so.2 => /lib64/libgssapi_krb5.so.2 (0x00007f29e464c000)
>
> libkrb5.so.3 => /lib64/libkrb5.so.3 (0x00007f29e4365000)
>
> libcom_err.so.2 => /lib64/libcom_err.so.2 (0x00007f29e4161000)
>
> libk5crypto.so.3 => /lib64/libk5crypto.so.3 (0x00007f29e3f34000)
>
> libkrb5support.so.0 => /lib64/libkrb5support.so.0 (0x00007f29e3d29000)
>
> libkeyutils.so.1 => /lib64/libkeyutils.so.1 (0x00007f29e3b25000)
>
> libresolv.so.2 => /lib64/libresolv.so.2 (0x00007f29e390b000)
>
> libselinux.so.1 => /lib64/libselinux.so.1 (0x00007f29e36ec000)
>
>
> Thanks for your continued assistance.
>
>
> Ada
>
> On Tue, Jan 17, 2017 at 9:10 AM, David Case <david.case.rutgers.edu>
> wrote:
>
> > On Sun, Jan 15, 2017, Ada Sedova wrote:
> >
> > > Here are the results of the checks you suggested:
> > >
> > > 1) mpicc -show shows the correct gcc (4.8.2) that I used for serial
> > compile
> >
> > I'm not sure if you still want to try to debug this problem or not. If
> you
> > do, please save the complete log of the "make install" run that fails,
> and
> > send it as an attachment. So far, I think we have only seen snippets of
> > the
> > end of the error messages.
> >
> > Also: run the serial install, cd $AMBERHOME/bin and report the output
> > from "ldd ./yacc". Do the same after the (failed) parallel install.
> > Are there any differences in what libraries are loaded?
> >
> > Finally, please provide the full output from "mpicc -show", and let us
> know
> > which MPI version you are using, and how you installed it.
> >
> > As best I can understand things, when you compile byacc with gcc, the
> > resulting executable works, but when you later compile it with mpicc, the
> > resulting executable tries to load a library that is not in your
> > LD_LIBRARY_PATH. If this is correct, it is something we should be able
> to
> > track down.
> >
> > [An alternative workaround is to comment out the line in the Makefile
> > that (re-)makes yacc during the parallel compilation step. But if your
> > mpicc
> > is failing with yacc, it seems likely to fail at some other step as
> well.]
> >
> > Trying the whole procedure again with AmberTools16 is probably a good
> > sanity
> > check (removes some possible sources of problems).
> >
> > Sorry for all the problems you are seeing: I don't recall having ever
> seen
> > this particular problem before.
> >
> > ...dac
> >
>
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>
>
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Received on Wed Jan 18 2017 - 12:00:05 PST
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