not reading theinput.dft, input.perf etc
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
BigDFT |
Fix Released
|
Medium
|
Unassigned |
Bug Description
I compiled v. 1.8 in Ubuntu 16 without mpi, using:
-------
conditions.
modules = ['spred',]
def env_configurati
return """'FCFLAGS=-O2 -fopenmp -fbacktrace ' 'CFLAGS=-O2 -fopenmp' --disable-mpi GLIB_LIBS='-ldl -fPIC'"""
#here follow the configuration instructions for the modules built
module_
'libyaml': env_configurati
'futile': env_configurati
'chess': env_configurati
'psolver': env_configurati
'libxc': env_configurati
'libABINIT': env_configurati
'GaIn': env_configurati
'bigdft': env_configurati
'spred': env_configurati
})
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.
Changed in bigdft: | |
importance: | Undecided → Medium |
status: | New → Fix Released |
LDA.out