segfault (mostly gapw)

[Oliviero Andreussi]

Dear cp2k developers, 
I apologize if I am asking something which has already been answered in the 
past, I tried searching the posts without success, I found a very similar 
post with no answers, which seems to suggest that my problem is not worth 
replying, either because too silly (most problable) or because not easily 
solvable. 
I would like to use cp2k to do AIMD simulations using hybrid functionals 
(is it feasible?). I downloaded cp2k version 2.5.1 and compiled it on a 
Linux cluster with intel compilers (composer 2013, sp1.1.106) and OpenMPI 
(version 1.6.5), together with libint (version 1.1.4), libxc (version 
2.0.1), fftw3 (version 3.3.3). All the libraries and openmpi have been 
compiled with intel compilers. I am using the old versions of libint and 
libxc because those are the ones suggested in the installation tutorial. 
Compilation worked (after some fine tuninig of the libraries and includes 
in the Linux-x86-64-intel.popt), the regtests also worked almost fine, but 
a significant fraction (~200) crashed due to segfault. In particular belove 
I report the tests that crashed, in which there is a significant number of 
GAPW tests. I tend to think that there is a problem with the 
compilation/linking of the code/libraries, but before starting to recompile 
everything piece by piece, it would be very useful to have your opinions.
Any suggestion that would speed up the process is greatly appreciated.

TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-11/H2O-32_NVT_CSVR_gen1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-12/H2OFe-5_75-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-12/H2OFe-5_75-4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-12/H2OFe-5_75-5.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-12/water_3_g3x3_fxd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-1-2/water_3_g3x3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-1-3/h2o-32-g3x3-mult.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn5.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn6.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn7.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/metadyn8.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/mtd_test0_cuthill.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/mtd_test0_cuthillslow.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/mtd_test0_hill.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/mtd_test0_hillslow.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-15/mtd_test0.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-2/H2O-32_ewald.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-2/H2O-32_PME.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-2/H2O-32_SPME_fixed.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-2/H2O-32_SPME_fixed_mol.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-2/H2O-32_SPME.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-2/H2O-32_SPME_res_1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-4/H2O-32_SPME_fp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-5/H2OFe-5_75.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-5/water_tip4p.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-6/H2O-32_PME_distr.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-6/NaCl_fe.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-8/G87_2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-8/G87.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-8/G96_ei_scale.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-8/G96.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-9/H2O-32_NVT_CSVR_globF.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-9/H2O-32_NVT_CSVR_glob.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-9/H2O-32_NVT_CSVR_molF.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-9/H2O-32_NVT_CSVR_mol.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-pol/H2OandI-dangchang.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/Fist/regtest-pol/H2O-dimer-dangchang.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-all-electron/H2O-rhotot-cube.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-all-electron/H2O-xrd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-all-electron/NO2-rhotot-cube.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-double-hybrid-1/H2O_B2PLYP.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-double-hybrid-2/H2O_B2GPPLYP.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-double-hybrid-2/H2O_DSD-BLYP.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-double-hybrid-3/CH3_B2PLYP_allelec.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-double-hybrid-3/H2O_B2PLYP_D3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-epr-1/NO2-EPR-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-epr-1/NO2-EPR-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-epr-2/NO2-EPR-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-epr-2/NO2-EPR-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-epr-2/NO2-EPR-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/c8_broy_gapw_all.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/c8_broy_gapw_all_xashh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/c8_pmix_gapw_all.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/c8_pmix_gapw_all_xashh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/CO.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/CO_xastpfh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/CO_xastphh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-1/CO_xastphh_r.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-2/C-levelshift.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-2/H2-pbe-restart-rerun.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-2/H2-pbe-restart-run.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-2/Li-ROKS.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-2/NO2-ROKS.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-3/CO.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-3/CO_xastpval.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-3/CO_xastpxhh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-3/CO_xastpxhh_loclist.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-3/CO_xes_core0.5.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-3/CO_xes_core1homo0.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/CO.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/CO_xastpxfh_150Ry.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/CO_xastpxfh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/CO_xastpxfh_locall.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/Fe.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/H2O_gpw_full_gapw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/H2O_gpw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/H2O_Hnopaw_pp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/H2O_Onopaw_gop.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/H2O_Onopaw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw-4/Ne-BP.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/Be_GAPW.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/h2o_dist.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all_localize_crazy.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all_localize_crazy_noortho.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all_localize.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all_localize_noortho.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all_loc_list.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-all_noortho.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-gth.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapw-gth-pvh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2O-gapwxc-gth.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2S-gapw-gop.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2S-gapw-gop-ot.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2S-gapw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H2S-gapw-ot.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/He2-all.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/He2-all-md.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/HF_gapw_all_LB.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/H-gapw-all.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/Na_atom.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/OF_gapw_all_lsd_LB.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gapw/xrd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gpw-6-3/c8_pmix_gapw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gpw-6-4/c8_broy_gapw_gop.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gpw-6-4/c8_broy_gapw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-gpw-6-4/c8_kerker_gapw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hfx-periodic/h2o-respa.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-1/H2O-hybrid-b3lyp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-1/H2O-hybrid-bhandh.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-1/H2O-hybrid-bhandhlyp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-1/H2O-hybrid-pbe0.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/CH3-hybrid-b3lyp-lsd-g03.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/CH3-hybrid-handh-lsd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/CH3-hybrid-handhlyp-lsd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/CH3-hybrid-pbe0-lsd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/H2O-hybrid-b3lyp-g03.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/NE-hybrid-HSE03-lda.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-2/NE-hybrid-HSE06-lda.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/CH3-hybrid-HSE06-lsd.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/H2O-hybrid-b3lyp_shortcut.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/H2O-hybrid-pbe0_shortcut.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/Li-hybrid-MCY3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/Li-hybrid-rcam-b3lyp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/Ne-hybrid-MCY3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-3/Ne-hybrid-rcam-b3lyp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-4/Ne_hybrid-rcam-b3lyp_tc.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-hybrid-4/Ne-periodic-shortrange.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-libxc/H2O-hybrid-b3lyp_libxc.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-libxc/H2O-hybrid-b3lyp_libxc_uks.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-2/he2_bug_disp.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-3/no-gapw-nics.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/c2h2_list-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/ch4-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/ch4-gapw-restart-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/h2o-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/h2o-no2-selected-states-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/h2o-no2-selected-states-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/he-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/he-gapw-no-soft-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/no_list-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/o2-gapw-uks-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/o2-gapw-uks-restart-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/w2_3-selected-states-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-4/w2_3-selected-states-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-5/h2o-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-5/h2o-gapw-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-5/h2o-gapw-4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-5/o2-gapw-uks-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-5/o2-gapw-uks-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-5/o2-gapw-uks-4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch3m-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch3p-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-1-distributed.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-1-replicated.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-5.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/ch4-gapw-gpw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-1-distributed.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-1-replicated.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-5.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/no-gapw-gpw-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/w2_qmmm-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/w2_qmmm-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nmr-6/w2_qmmm-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-nonortho/graph_b111_gapw.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-rel/h2o-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-rel/h2o-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-rel/h2o-3.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-rel/h2o-4.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-rel/h2o-5.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-rel/Hg_rel.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-spin-spin-1/ch4-gapw-issc-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-spin-spin-1/ch4-gapw-issc-2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-spin-spin-1/ch4-gapw-issc-pso-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-spin-spin-1/he-polar-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-spin-spin-1/nh3-issc-op-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QS/regtest-spin-spin-1/no-gapw-issc-1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/QS/regtest-gapw/C11H24-qmmmgapwall-gauss-0.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/QS/regtest-gapw/C11H24-qmmmgapw-gauss-0.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/QS/regtest-gapw/H2O-qmmm-gapw-fdbg.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/QS/regtest-gapw/H2O-qmmm-hfx.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/SE/regtest_2/water_g3x3_excl_mm.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/SE/regtest_2/water_g3x3_excl_qm.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/SE/regtest/mol_CSVR_gen1.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/SE/regtest/mol_CSVR_gen2.inp.out
TEST-Linux-x86-64-intel-popt-2014-03-11_10-42-51/QMMM/SE/regtest/mol_CSVR_gen3.inp.out

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