[AMBER-Developers] rism - Netcdf problems?

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 28 Jan 2014 21:12:57 -0800

Hi All,

Has anybody else seen issues with netcdf shared libraries?

Latest git tree as of 9pm PST today.

./configure gnu
make -j8 install
make test

cd leap/glycam && ./Run_tests.bash clean
cd nab && make -k test testrism
make[3]: Entering directory
`/cbio/jclab/home/rcw/amber/AmberTools/test/nab'
Running test to make dna duplex:

./duplex: error while loading shared libraries: libnetcdf.so.7: cannot
open shared object file: No such file or directory
./Run.duplex: Program error
make[3]: *** [duplex_test] Error 1
Running test to computed 3DNA deformation energies:

./deform: error while loading shared libraries: libnetcdf.so.7: cannot
open shared object file: No such file or directory
./Run.deform: Program error
make[3]: *** [deform_test] Error 1
Running Reflexive test:

./refl: error while loading shared libraries: libnetcdf.so.7: cannot open
shared object file: No such file or directory
./Run.reflexive: Program error
make[3]: *** [reflexive_test] Error 1
Running test of sub() and gsub()


... etc ...

does this for ALL the rism tests and then everything looks good

./Run.rism_xmin: Program error
make[3]: *** [rism_xmin] Error 1
make[3]: Target `testrism' not remade because of errors.
make[3]: Leaving directory `/cbio/jclab/home/rcw/amber/AmberTools/test/nab'
make[2]: *** [test.nab] Error 2
cd cpptraj && make -k test
make[3]: Entering directory
`/cbio/jclab/home/rcw/amber/AmberTools/test/cpptraj'
make test.main
make[4]: Entering directory
`/cbio/jclab/home/rcw/amber/AmberTools/test/cpptraj'
**************************************************************
TEST: /cbio/jclab/home/rcw/amber/AmberTools/test/cpptraj/Test_General

  CPPTRAJ: General tests
diffing distance.dat.save with distance.dat
PASSED
==============================================================
diffing rmsd.dat.save with rmsd.dat

... etc ...


Seems like rism is relying on system netcdf for some reason? - Or
something else is wrong.

All the best
Ross

/\
\/
|\oss Walker

---------------------------------------------------------
| Associate Research Professor |
| San Diego Supercomputer Center |
| Adjunct Associate Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------

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Received on Tue Jan 28 2014 - 21:30:02 PST
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