[Wien] Problems with case.weighf file

[Fons Paul]

I am still following up on my attempts at running a hybrid calculation.  After seeing the ratio of PBE to PBE0 with MgO was only a factor of six, I have attempted again with four Ifiniband-connected nodes, each with 24 cores to carry out a PBE calculation.  There are a total of four k-points (each on a different machine) and I have assigned 24 cores to each k-point using MPI parallelism.  As the MPI parallelism I understand is over atoms, the number of atoms is a integral number of the number of MPI processes.  I have changed all of the nodes to have "SCRATCH=./“  Again, the calculation stopped when hf attempted to read in the aCGT.weighhf file.  This file is 117,020 bytes long and it appears from the error message that there is not enough data in the file to satisfy the read statement at line 44 in read_weight.  Does anyone have any suggestions as to what I might try next?

lapw0:localhost:12
1:localhost:24
1:sagittarius-ib:24
1:draco-ib:24
1:libra-ib:24
granularity:1
extrafine:1
matstud at gemini.a04.aist.go.jp:/usr/local/share/wien2k/Fons/aCGT>ls -l *weighhf
-rw-rw-r-- 1 matstud matstud 117020 Mar 12 15:01 aCGT.weighhf



matstud at gemini.a04.aist.go.jp:/usr/local/share/wien2k/Fons/aCGT>run_lapw -hf -p -in1new 2 2>&1 | tee runlog
 LAPW0 END
 LAPW0 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
LAPW2 - FERMI; weighs written
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
 SUMPARA END
 CORE  END
forrtl: severe (67): input statement requires too much data, unit 26, file /usr/local/share/wien2k/Fons/aCGT/aCGT.weighhf
Image              PC                Routine            Line        Source             
hfc_mpi            000000000066EC07  Unknown               Unknown  Unknown
hfc_mpi            000000000068AB27  Unknown               Unknown  Unknown
hfc_mpi            0000000000688866  Unknown               Unknown  Unknown
hfc_mpi            00000000004CA1A8  read_weight_               44  read_weight.f
hfc_mpi            00000000004A7E0C  MAIN__                     24  hf.f
hfc_mpi            000000000040477E  Unknown               Unknown  Unknown
libc.so.6          000000343F61ED5D  Unknown               Unknown  Unknown
hfc_mpi            0000000000404689  Unknown               Unknown  Unknown
forrtl: severe (67): input statement requires too much data, unit 26, file /usr/local/share/wien2k/Fons/aCGT/aCGT.weighhf

   The above message repeats 46 times 

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