[AMBER-Developers] size of the test suite in AmberTools13

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 1 Apr 2013 10:54:56 -0400

Hi everyone:

I have a moderate concern that the size of the AmberTools tarball keeps
growing at every release. Most of this is in the test suite, which now takes
up 344 Mbytes (see list below).

For the bigger pieces, please think if there is a *simple* way to reduce the
file sizes. One question is whether we still need all the ptraj tests, since
we are pushing people towards cpptraj (which itself has 46 Mbytes of tests).
If there are other things you can see that could be slimmed down, please let
me know.

In the src directory, the great majority of space is taken up by third party
packages (also shown below). The only obvious place I see to cut is the
"testing" directory under xblas, but if people see other easy things to
remove, please let me know as well.

I understand that disk space is cheap, but bandwidth is not always easily
available to all our users: I periodically receive requests for smaller
downloads, so simple things that we can do to make the download file smaller
will help.

...thanks...dac

godel% dudir for AmberTools/test
460 ./ambpdb
1048 ./ambpdb_first_protein
1360 ./ambpdb_first_rna
18124 ./antechamber
33152 ./chamber
4448 ./cpinutil
46384 ./cpptraj
868 ./elsize
11184 ./leap
10900 ./mdgx
30196 ./mmpbsa_py
4812 ./mtkpp
39516 ./nab
18964 ./paramfit
40380 ./parmed
1352 ./pbsa_aug_c2
44 ./pbsa_bcopt
328 ./pbsa_delphi
28 ./pbsa_dmp
1712 ./pbsa_frc
44 ./pbsa_IIM
192 ./pbsa_ipb2
1256 ./pbsa_ligand
96 ./pbsa_lpb
1864 ./pbsa_mbfocus
4724 ./pbsa_memb_test
2128 ./pbsa_npb
28 ./pbsa_p3m
100 ./pbsa_radi
108 ./pbsa_rot
30196 ./mmpbsa_py
4812 ./mtkpp
39516 ./nab
18964 ./paramfit
40380 ./parmed
1352 ./pbsa_aug_c2
44 ./pbsa_bcopt
328 ./pbsa_delphi
28 ./pbsa_dmp
1712 ./pbsa_frc
44 ./pbsa_IIM
192 ./pbsa_ipb2
1256 ./pbsa_ligand
96 ./pbsa_lpb
1864 ./pbsa_mbfocus
4724 ./pbsa_memb_test
2128 ./pbsa_npb
28 ./pbsa_p3m
100 ./pbsa_radi
108 ./pbsa_rot
52 ./pbsa_saopt
32 ./pbsa_tri
1200 ./pbsa_tsr
12648 ./ptraj_comprehensive
964 ./ptraj_matrix
10116 ./ptraj_order
88 ./ptraj_remd_netcdf
68 ./ptraj_rms
6340 ./ptraj_rmsa
112 ./ptraj_trajectory
188 ./reduce
380 ./resp
35768 ./rism1d
184 ./sas2test
312 ./sqm
344320 .


godel% dudir for AmberTools/src
4612 ./amberlite
1540 ./antechamber
520 ./arpack
548 ./blas
15952 ./boost-1.38.0
184 ./byacc
364 ./c9x-complex
260 ./chamber
100 ./cifparse
4760 ./cpptraj
1284 ./etc
24724 ./fftw-3.3
16 ./include
2752 ./lapack
6820 ./leap
304 ./lib
1848 ./mdgx
1748 ./mmpbsa_py
20288 ./mtkpp
1652 ./nab
11484 ./netcdf
400 ./nss
916 ./paramfit
576 ./parmed
3200 ./pbsa
2520 ./ptraj
5228 ./reduce
1592 ./rism
272 ./semantics
1256 ./sff
2152 ./sqm
380 ./ucpp-1.3
33076 ./xblas
164 ./xray
376 ./xtalutil
154028 .


-- 
====================================================================
David A. Case                         | case.biomaps.rutgers.edu   
Dept. of Chemistry & Chemical Biology |
Rutgers University                    | office:   +1-848-445-5885
174 Frelinghuysen Road, Rm. 208b      | cell:     +1-609-651-6817
Piscataway, NJ 08854        USA       | http://casegroup.rutgers.edu
====================================================================
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Received on Mon Apr 01 2013 - 08:00:02 PDT
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