matr3inv.F90 bug in abinit 8.0.8b
Posted: Fri Nov 04, 2016 1:13 am
Hi there,
A user is facing a bug with the attached input. The simulation crashes ~ 1h after started.
I've compiled abinit 8.0.8b with the following components:
Here's the './configure' line:
This is the error message.
I've found other instances of similar problems, but no solution so far.
TIA,
Fabricio
A user is facing a bug with the attached input. The simulation crashes ~ 1h after started.
I've compiled abinit 8.0.8b with the following components:
FC = gfortran 4.8.2
BLAS/LAPACK = openblas 0.2.18
FFT = fftw 3.3.4
MPI = openmpi 1.8.8
HDF5 = 1.8.17
NETCDF-C = 4.4.1
NETCDF-F = 4.4.4
Here's the './configure' line:
--enable-mpi --enable-openmp --enable-optim=safe --enable-stdin --with-fft-flavor=fftw3 --with-linalg-flavor=goto --with-trio-flavor="netcdf+etsf_io" --disable-gpu
This is the error message.
--- !BUG
src_file: matr3inv.F90
src_line: 84
mpi_rank: 7
message: |
Attempting to invert real(8) 3x3 array
Infinity NaN NaN NaN Infinity NaN NaN NaN Infinity
==> determinant= NaN is zero.
I've found other instances of similar problems, but no solution so far.
TIA,
Fabricio