- 11 Jul, 2016 1 commit
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Daniel Wortmann authored
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- 08 Jul, 2016 5 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
states changes between reading and writing
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- 07 Jul, 2016 6 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 06 Jul, 2016 4 commits
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Gregor Michalicek authored
The atom positions were wrong because the array zat in force/geo.f90 was not initialized.
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Gregor Michalicek authored
The error was due to an unintended swapping of tdu with tud in write_tlmplm.
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 05 Jul, 2016 6 commits
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Gregor Michalicek authored
The here fixed bugs are due to a missing division by 2*Pi wherever the old cotra1 subroutine was replaced by a call to MATMUL.
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 04 Jul, 2016 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
This is done iff the input file for the input file generator specifies a film calculation but no dVac is provided. Also: Initialize mat array in inpgen/struct_input.f to 0. The missing initialization lead to an error.
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Gustav Bihlmayer authored
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- 01 Jul, 2016 12 commits
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Gregor Michalicek authored
The old code is not yet commented out, the result is just overwritten.
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Gregor Michalicek authored
The error forrtl: severe (408): fort: (2): Subscript #2 of the array FGXY has value 34 which is greater than the upper bound of 33 Image PC Routine Line Source fleur 000000000197775A Unknown Unknown Unknown fleur 0000000001976256 Unknown Unknown Unknown fleur 00000000019200C0 Unknown Unknown Unknown fleur 00000000018A8A5F Unknown Unknown Unknown fleur 00000000018A8F81 Unknown Unknown Unknown fleur 0000000000DD50A2 m_fft2d_mp_fft2d_ 47 fft2d.F90 fleur 0000000001264290 m_vvacxcg_mp_vvac 257 vvacxcg.f90 fleur 00000000007C8301 m_vgen_mp_vgen_ 547 vgen.F90 fleur 00000000004077E3 m_fleur_mp_fleur_ 406 fleur.F90 fleur 0000000000794AF2 m_fleur_jobs_mp_f 170 fleur_job.F90 fleur 0000000000794FF0 MAIN__ 238 fleur_job.F90 fleur 00000000004061DC Unknown Unknown Unknown libc.so.6 000000368A01D9F4 Unknown Unknown Unknown fleur 00000000004060E9 Unknown Unknown Unknown was thrown.
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Gregor Michalicek authored
The error was due to arrays being larger than the actually used part in combination with fortran array operations.
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
as this breaks shared memory parallelism
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Daniel Wortmann authored
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Daniel Wortmann authored
module variables as this will break shared memory parallelisation!
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- 30 Jun, 2016 3 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Gregor Michalicek authored
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