[Wien] Wien2k with oneAPI on Mac OSX (Monterey)
Zhu, Jianxin
jxzhu at lanl.gov
Sun Jul 10 20:01:05 CEST 2022
Dear All,
Recently I upgraded my Mac OSX system to Monterey.
I also downloaded and installed Intel oneAPI 2022.1.0 on the system.
1/ The compilation of wien2k.21.1 (and wien2k.19.1) seems to be successful.
[I only want to install the k-point coarse-grained wien2k on the system.
After I enter "O" (Compiling Options) and then "S" (Save and Quit), the following
comes up
***********************************************************************
* Changing compiler options *
***********************************************************************
Changing Parallel Compiler to
sed: 1: "/Users/jxzhu/wien2k.19. ...": invalid command code j
...
I suspect this is due to the missing of $MPR variable value and hope it has no impact to the non-MPI installation.]
2/ The severe problem comes up during the run-time stage. For example, for TiC,
..../TiC] jxzhu% x lapw0
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
lapw0 000000010D2EAE84 Unknown Unknown Unknown
libsystem_platfor 00007FF801D93DFD Unknown Unknown Unknown
lapw0 000000010D29A935 _xcpot1_ 1 xcpot1.f
lapw0 000000010D25B484 _MAIN__ 2308 lapw0.F
lapw0 000000010D1C8C2E Unknown Unknown Unknown
0.086u 0.037s 0:00.16 68.7% 0+0k 0+0io 186pf+0w
error: command /Users/jxzhu/wien2k.21.1/lapw0 lapw0.def failed
This problem occurs regardless of wien2k being 21.1 or 19.1.
[Since I am using tcsh shell, I have execute the following to run jobs
bash -c 'source /opt/intel/oneapi/setvars.sh intel64 ; exec csh'
]
I read the group mailing list and see the thread by Peter and Laurence in early 2021 indicating the code should run fine with oneAPI.
But I am not sure if it is for Linux or Mac system.
I wonder if any community member has encountered the same problem.
Any thoughts and suggestions are appreciated.
Best,
Jianxin
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