[DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.
奥野 義人
okuno at ap.eng.osaka-u.ac.jp
Mon Feb 25 10:07:56 CET 2013
Dear all,
I found a problem while executing "make test".
What is wrong? The Fortran 95 Compiler(G95 BINARY; Linux x86-64 [64 bit DI]) installed
in my system is not the correct version for running dftb+1.2.2?
Then error sentence is like the following:
==============================================================================
TEST SUMMARY
------------------------------------------------------------------------------
Match:
non-scc/Si_2 geoopt/H2O-constr
non-scc/GaAs_2 geoopt/H2O-nonscc
non-scc/CH4 geoopt/Vsi+O-nonscc
non-scc/HBDI-neutral geoopt/Vsi+O
non-scc/HBDI-cationic geoopt/Si_2_latconst
non-scc/decapentaene geoopt/Si_2_lattice
non-scc/10-0Ctube geoopt/GaAs_8_latconst
non-scc/10-10Ctube geoopt/diamond_presure
non-scc/Si41C23N35 geoopt/diamond_isotropic
non-scc/Si_384 geoopt/Cchain_lattice
non-scc/Si_216 md/Si_8
scc/GaAs_2 md/H3
scc/SiC_64 md/Si_8-thermostat
scc/C60 md/Si_8-thermostat2
scc/H3 md/Si_8-tempprofile
scc/H2O-extchrg md/Si_8_restart
scc/H2O-extchrg-periodic md/Si_8_NHC
scc/H2O-extchrg-blur md/Si_8_NHC_restart
scc/2H2O-3rdorder md/SiH-surface
scc/H2O+CH3COOH-3rdorder md/DNA
scc/H2O-extchrg-direct md/ice_Ic
scc/H2O-extfield md/H2O-extfield
scc/10-0Ctube-extfield dispersion/2H2O
scc/C2H6_3rdfull dispersion/DNA
scc/C2H6_3rdfull-damp dispersion/DNA-damped
scc/C4H8_3rdfull dispersion/2H2O_uff
scc/C4H8_3rdfull-damp derivatives/C6H6_scc
scc/H2O2_3rdfull dftb+u/Fe4
scc/H2O2_3rdfull-damp dftb+u/GaAs_2
spin/H2O dftb+u/CH3
spin/H2O-periodic spinorbit/GaAs_2
spin/GaAs_2 spinorbit/Fe2
spin/H2 spinorbit/Si_2
spin/Fe4 spinorbit/Si2_dual
spin/Fe4_noncolinear spinorbit/Fe2_dual
geoopt/H2O
Incomplete:
spinorbit/EuN
------------------------------------------------------------------------------
Status: FAIL
------------------------------------------------------------------------------
Details in:
_autotest/stderror.log
_autotest/tagdiff.log
==============================================================================
make[1]: *** [test] Error 1
make[1]: Leaving directory `/opt/dftb+_1.2.2_src/prg_dftb/_obj_x86_64-linux-g95'
make: *** [_obj_x86_64-linux-g95] Error 2
[root at localhost prg_dftb]#
Please give me advices to solve this problem if anybody has ideas.
Thanks for your cooperation in advance.
Sincerely yours,
Yoshito Okuno Phd. student
Osaka university
Department of Applied Physics, Osaka University, Kawata Laboratory
Email: okuno at ap.eng.osaka-u.ac.jp
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