I do not know from where you have this script which generates .machines.
I cannot debug it just by looking .....
In any case, the resulting .machines file is probably not what you want.
I believe both of fftw and WIEN2k were compiled with the same intel
compilers, but I've attached my WIEN2k options in the second email. I’ve
tried using different “CORES_PER_NODE” settings (16, 64) to either match
the number of cores per node I request or the number of total cores per
node, but the error is still the same, and running x lapw0 followed by x
lapw1 -p in my job script leads to:
LAPW0 END
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 200, file "Unknown"
Image PC Routine Line Source
lapw1_mpi 00000000004DCBAB Unknown Unknown Unknown
lapw1_mpi 00000000004CED9F Unknown Unknown Unknown
lapw1_mpi 000000000045DEE3 inilpw_ 264 inilpw.f
lapw1_mpi 0000000000462050 MAIN__ 48
lapw1_tmp_.F
lapw1_mpi 0000000000408362 Unknown Unknown Unknown
libc-2.28.so <http://libc-2.28.so/> 0000147E06BC9CF3
__libc_start_main Unknown Unknown
lapw1_mpi 000000000040826E Unknown Unknown Unknown
srun: error: c306-005: task 0: Exited with exit code 28
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 200, file "Unknown"
This error happens at the following close line:
if(.not.readHinv) then
inquire(unit=200, opened=Hinv_open)
if(Hinv_open) then
close(unit=200, status='DELETE')
endif
endif
It is explicitly coded that it should come to the close statement ONLY
when the file is opened.
Is there no more recent ifort compiler on your system ??? Intels OneAPI
??. I'm not sure, but search the wien2k mailing list about compiler
errors of compilers_and_libraries_2020.1.217, I think there was a
problem .....
--
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.bl...@tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
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