ABINIT Discussion Forums

Hello all,

I get this error while trying to perform NSCF calculation:

Reading option of rwwf. One should have npwtot=npw1
However, npwtot=38891, and npw1=9742.
src_file: rwwf.F90
src_line: 379
...

Action : contact ABINIT group.
Action : contact ABINIT group.

Anyone have an idea what to do?

Abinit version is 7.8.2 (both serial and parallel binaries exibit the same error).
WFK called as new input file (restart, no datasets), with irdwfk 1.

Thanks in advance,

Nikola Novakovic

------------------------------------------------
LOG file header:

=== Build Information ===
Version : 7.8.2
Build target : x86_64_linux_gnu4.7
Build date : 20150218

=== Compiler Suite ===
C compiler : gnu4.7
C++ compiler : gnu4.7
Fortran compiler : gnu4.7
CFLAGS : -g -O2 -mtune=native -march=native
CXXFLAGS : -g -O2 -mtune=native -march=native
FCFLAGS : -g -ffree-line-length-none
FC_LDFLAGS :

=== Optimizations ===
Debug level : basic
Optimization level : standard
Architecture : intel_core2

=== Multicore ===
Parallel build : yes
Parallel I/O : no
openMP support : no
GPU support : no

=== Connectors / Fallbacks ===
Connectors on : yes
Fallbacks on : yes
DFT flavor : libxc-fallback
FFT flavor : none
LINALG flavor : netlib-fallback
MATH flavor : none
TIMER flavor : abinit
TRIO flavor : netcdf-fallback+etsf_io-fallback

=== Experimental features ===
Bindings : @enable_bindings@
Exports : no
GW double-precision : no

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Default optimizations:
-O2 -mtune=native -march=native


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
CPP options activated during the build:

CC_GNU CXX_GNU FC_GNU

HAVE_DFT_LIBXC HAVE_FC_ALLOCATABLE_DT... HAVE_FC_ASYNC

HAVE_FC_COMMAND_ARGUMENT HAVE_FC_COMMAND_LINE HAVE_FC_CONTIGUOUS

HAVE_FC_CPUTIME HAVE_FC_EXIT HAVE_FC_FLUSH

HAVE_FC_GAMMA HAVE_FC_GETENV HAVE_FC_INT_QUAD

HAVE_FC_IOMSG HAVE_FC_ISO_C_BINDING HAVE_FC_LONG_LINES

HAVE_FC_PRIVATE HAVE_FC_PROTECTED HAVE_FC_STREAM_IO

HAVE_FC_SYSTEM HAVE_FORTRAN2003 HAVE_LIBPAW_ABINIT

HAVE_MPI HAVE_MPI2 HAVE_MPI_IALLREDUCE

HAVE_MPI_IALLTOALL HAVE_MPI_TYPE_CREATE_S... HAVE_NUMPY

HAVE_OS_LINUX HAVE_TIMER HAVE_TIMER_ABINIT

HAVE_TIMER_MPI HAVE_TIMER_SERIAL HAVE_TRIO_ETSF_IO

HAVE_TRIO_NETCDF USE_MACROAVE
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++