[Octopus-devel] Testsuite (short-run) result for gfortran 4.3.0 on x86_64 linux

[Tobias Burnus]

(This is with FCFLAGS="-g -fdump-core -fbacktrace
-ffpe-trap=zero,invalid -fbounds-check -O3 -msse3 -mtune=athlon64
-funroll-loops -ftree-vectorize" and gfortran 4.3.0 20070726)


 ***** Spin-orbit coupling *****

07-spin_orbit_coupling.01-hgh.inp

============================================================[ Eigenvalues - pre command ]
-0.017176 0.1653 0.33
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-0.017\d*\s*-0.1685\s*0.33
Match: FAILED

============================================================[ Eigenvalues - pre command ]
-0.017176 -0.1685 0.33
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-0.017\d*\s*0.1653\s*0.33
Match: FAILED


This somehow looks as if the order is reverted?!?



07-spin_orbit_coupling.02-rkb.inp

Also here there could be an off by one line error:

============================================================[ Eigenvalues - pre command ]
0.208206 0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-6.483\d*\s*0.5000\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-6.482933 0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-6.465\d*\s*0.5000\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-6.465108 0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-6.462\d*\s*-0.5000\s*1.00
Match: FAILED

============================================================[ Eigenvalues - pre command ]
-6.461867 -0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-6.455\d*\s*-0.5000\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-6.455101 -0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-2.198\d*\s*0.5000\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-2.198127 0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-2.165\d*\s*-0.5000\s*1.00
Match: FAILED

============================================================[ Eigenvalues - pre command ]
-2.165401 -0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-1.210\d*\s*0.4572\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-1.210151 0.4571 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-1.195\d*\s*0.1174\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-1.195520 0.1174 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-1.187\d*\s*0.5000\s*1.00
Match: FAILED

============================================================[ Eigenvalues - pre command ]
-1.186682 0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-1.166\d*\s*-0.1174\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-1.165774 -0.1174 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-1.157\d*\s*-0.5000\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-1.156697 -0.5000 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*-1.139\d*\s*-0.4572\s*1.00
Match: FAILED


============================================================[ Eigenvalues - pre command ]
-1.138670 -0.4571 1.00
------------------------------------------------------------[ Eigenvalues - regular expression ]
\s*0.208\d*\s*0.5000\s*1.00
Match: FAILED





03-sodium_chain.01-ground_state.inp

============================================================[ Force - pre command ]
   1        Na       0.000037      -0.000000      -0.000000
------------------------------------------------------------[ Force - regular expression ]
\s*0.0000\d*\s*0.0000\d*\s*0.0000\d*
Match: FAILED


Tobias