not reading theinput.dft, input.perf etc

Bug #1627172 reported by sylvian
10
This bug affects 2 people
Affects Status Importance Assigned to Milestone
BigDFT
Fix Released
Medium
Unassigned

Bug Description

I compiled v. 1.8 in Ubuntu 16 without mpi, using:

------------------------------------ nompi_static.rc ------------------------------------
conditions.add("testing")
modules = ['spred',]

def env_configuration2():
    return """'FCFLAGS=-O2 -fopenmp -fbacktrace ' 'CFLAGS=-O2 -fopenmp' --disable-mpi GLIB_LIBS='-ldl -fPIC'"""

#here follow the configuration instructions for the modules built
module_autogenargs.update({

'libyaml': env_configuration2(),

'futile': env_configuration2(),

'chess': env_configuration2(),

'psolver': env_configuration2(),

'libxc': env_configuration2(),

'libABINIT': env_configuration2(),

'GaIn': env_configuration2(),

'bigdft': env_configuration2(),

'spred': env_configuration2(),

})

The compilation was reported as successful.

I tried to do the second item in the first tutorial, namely defining a LDA.xyz file with the N2 coordinates and and LDA.dft file, changing the grid dimensions and asking for a print of the wavefunctions. But the dft file is not read as can be verified from the output. And of course not wavefunctions were produced.

Revision history for this message
sylvian (sylviankahane) wrote :
Revision history for this message
sylvian (sylviankahane) wrote :

LDA.out

Changed in bigdft:
importance: Undecided → Medium
status: New → Fix Released
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