ABINIT Discussion Forums

SOLUTION (well, fix): ==================== I patched config.h in the top level abinit directory (after running ./configure and before running make): Changed 554c554,555 /* #undef HAVE_TRIO_ETSF_IO */ to #define HAVE_TRIO_ETSF_IO 1 #define HAVE_ETSF_IO 1 and /* #undef HAVE_TRIO_NETCDF */ to #define H...

SUMMARY: ============ I get ioarr.F90:386:ERROR Bad value for accessfil3 on write ioarr.F90:386:ERROR Bad value for accessfil3 on write when running abinit V7.4.2 with accesswff 3 and istwfk *1 set in the input file, etsf-io and etsf-io-fallback+netcdf-fallback are enabled at configure time. DESCRIP...

simpak, i know, MAN.

but thanks for the hint, dcaliste, i'll try it out.

gmateo,

Comment the line

call flush() --> ! call flush()

Fixed in 7.4.3

I found the same issue. Is 7.4.3. available yet?

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solved:
the windows binary is parallel-enabled, hence the suffix _0 (as in process 0) on the wfk files, even when run in serial.

hi sabine,
i'm working on the same problem. did you get any further with it? if yes, what was your solution?

appreciating your reply,

carsten

summary: cut3d crashes when attempting to read *-etsf.nc potential files. --------------------------------------- description abinit version: 6.12.3 built from sources w/ etsf-io fallback connector platform: linux x86-64 3.2.x kernel for several reasons i rely on the etsf-io capability, so my typic...

summary: different names for the wavefunction *-etsf.nc file on win and on linux from identical input and using same abinit version. ----------------------------------------------- description: i'm running this input file (input.in) acell 1 1 1 angstrom rprim 0.00000000 2.71530000 2.71530000 2.7153...

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with_fft_flavor="fftw3"

alain,

thanks for the hint, that did it.

I have similar issues with abinit 6.12.3 and mkl/intel v11.1/073: here is my configure line (on linux 64bit environment) which is only slightly adjusted from the reply above (i.e. no mpi and no openmp) ./configure \ --prefix=/usr/local \ --enable-64bit-flags \ --with-linalg-flavor=mkl \ --with-linal...