The ilp64 in your R_LIBS cannot be used for WIEN2k, you must use lp64 [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08707.html
].
For composer 2017, you might also need "-assume nobuffered_io" in the O
line [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16802.html
].
On 1/22/2018 7:15 AM, mostefa djermouni wrote:
Dear Peter BLAHA and Wien2k users,
I have Linux Debian 9 architecture with ifort: composer 2017 and i7
7700 possessor.
I did my compilation without error message,
After calculation of GaAs example I get this error:
LAPW0 END
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
this is my compilation options:
O:
-FR -mp1 -w -prec_div -pc80 -pad -DINTEL_VML -traceback -O1 -xHost
L:
-i8 -I$(MKLROOT)/include/intel64/ilp64 -I$(MKLROOT)/include
R:
$(MKLROOT)/lib/intel64/libmkl_blas95_ilp64.a
$(MKLROOT)/lib/intel64/libmkl_lapack95_ilp64.a -Wl,--start-group
$(MKLROOT)/lib/intel64/libmkl_intel_ilp64.a
$(MKLROOT)/lib/intel64/libmkl_intel_thread.a
$(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread
-lm -ldl
Thanks in advance.
-------------------------------------------------------
Dr. Mostefa DJERMOUNI
Laboratoire de Physique Computationnelle des Matériaux -LPCM-
Université Djilali Liabès de Sidi Bel-Abbès 22000 Sidi Bel-Abbès, Algérie
Tél: +213 795 626 105
-------------------------------------------------------
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