The edition of Yambo I use is 4.4. I encountered a problem when I try to generate r_setup file. The error message is:
And the information on my system:[ERROR] File ./SAVE//ns.db1; Variable G-VECTORS; NetCDF: Start+count exceeds dimension boundapplication called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
Is the problem dude to my G vector is too many to be transferred into yambo file? Is there any method can fix this problem? It will be very appreciated if you can help me.[RD./SAVE//ns.db1]------------------------------------------
Bands : 320
K-points : 1
G-vectors [RL space]: 28363972
Components [wavefunctions]: 1676167
Symmetries [spatial+T-rev]: 2
Spinor components : 1
Spin polarizations : 2
Temperature [ev]: 0.02585
Electrons : 512.0000
WF G-vectors : 1676167
Max atoms/species : 96
No. of atom species : 5
Exact exchange fraction in XC : 0.000000
Exact exchange screening in XC : 0.000000
Magnetic symmetries : no
Best wishes,
Yang
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Yang Zhou
PhD student
University of Leeds
United Kingdom