testsuite skips further integral runs if failures or discrepancies are detected

[mbanck]

If a failure or a numeric discrepancy is detected by the test suite, it aborts even if further integral runs are queued.

I think it would be better to always run all integral runs and only exit with non-zero status (and maybe an overall summary) after the last integral run.

Example:

https://buildd.debian.org/status/fetch.php?pkg=mpqc3&arch=powerpc&ver=0.0~git20160216-3&stamp=1455875434

input_zapt2ch2:              ok ok E: 9
lmp2_glycine.lmp2.631gs:     ok ok E:-87*
lmp2_glycine.lmp2.cd.631gs:  ok ok E:-35*
lmp2_glycine.mp2.631gs:      ok ok E: 9 D1L:7 X:OK
*************************************************
*     69 test cases total
*      2 numerical discrepancies
*      0 failed reference cases
*      0 missing reference cases
*      0 failed test cases
*      0 missing test cases
*************************************************
CHECK FAILED
check.mk:522: recipe for target 'check0_chk' failed
make[6]: *** [check0_chk] Error 1
make[6]: Leaving directory '/«PKGBUILDDIR»/obj-powerpc-linux-gnu/test'
test/CMakeFiles/check0.dir/build.make:60: recipe for target 'test/CMakeFiles/check0' failed
make[5]: *** [test/CMakeFiles/check0] Error 2
make[5]: Leaving directory '/«PKGBUILDDIR»/obj-powerpc-linux-gnu'

vs.

https://buildd.debian.org/status/fetch.php?pkg=mpqc3&arch=ppc64el&ver=0.0~git20160216-3&stamp=1455870241

input_zapt2ch2:              ok ok E: 9
lmp2_glycine.lmp2.631gs:     ok ok E: 8
lmp2_glycine.lmp2.cd.631gs:  ok ok E: 8
lmp2_glycine.mp2.631gs:      ok ok E: 9 D1L:7 X:OK
*************************************************
*     69 test cases total
*      0 numerical discrepancies
*      0 failed reference cases
*      0 missing reference cases
*      0 failed test cases
*      0 missing test cases
*************************************************
CHECK OK
make[6]: Leaving directory '/«PKGBUILDDIR»/obj-powerpc64le-linux-gnu/test'
make[6]: Entering directory '/«PKGBUILDDIR»/obj-powerpc64le-linux-gnu/test'
cd run && perl /«PKGBUILDDIR»/obj-powerpc64le-linux-gnu/bin/mpqcrun --autoout --simpout --inputprefix /«PKGBUILDDIR»/test/ref/ --seq ^ckpt_ --mpqc /«PKGBUILDDIR»/obj-powerpc64le-linux-gnu/src/bin/mpqc/mpqc --integral=libint2 pt2f12_scfc11ccpvdzaugccpvdzc2v.in mp2f12_ch2mp2f12slashc10ccpvdzccpvdzf12cabsccpvtzric2v_ansatz=diag,coupling=true_.in mp2f12_ch2mp2f12slashc10ccpvdzccpvdzf12cabsccpvtzric2v_ansatz=ijkl,coupling=true_.in ccsdptpr12_df_ne.in psiccsdpt2f12_h2opsiccsd_tf12ccpvdzccpvdzf12cabsccpvtzric2v_ansatz=diag,ebc=false_.in psiccsdpt2f12_h2opsiccsd_tf12ccpvdzccpvdzf12cabsccpvtzric2v_ansatz=ijkl,ebc=false_.in psipt2f12_casscfc11ccpvdzaugccpvdzc2v.in psipt2f12_mrcic10ccpvdzaugccpvdzc2v.in
Running a maximum of 1 jobs at a time.
Running 1 processes per job.
Running 1 threads per process.
Nodes in slot 0:
Using INTEGRAL = "<IntegralLibint2>:()"