TREX-CoE / qmckl

Quantum Monte Carlo Kernel Library

Home Page:http://trex-coe.github.io/qmckl/index.html

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Fail: local_energy and det tests with `icc` and `ifort`

v1j4y opened this issue · comments

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TLDR: Local energy and Determinant tests failing with icc and ifort

Configure command used:

./configure --prefix=$CONDA_PREFIX FC=ifort FCFLAGS='-g -xCORE-AVX2 -O3 ' CC='icc' CFLAGS='-g -xCORE-AVX2 -O3 -fno-omit-frame-pointer'

Summary of configuration:

CC..............: icc
CPPFLAGS........: 
CFLAGS..........: -g -xCORE-AVX2 -O3 -fno-omit-frame-pointer  
FC..............: ifort
FCLAGS..........: -g -xCORE-AVX2 -O3  -nofor-main
LDFLAGS:........: 
LIBS............: -lopenblas    -ltrexio -lpthread -lm 
USE CHAMELEON...: 
HPC version.....: no

Package features:
   trexio

Output running make check:

============================================================================
Testsuite summary for qmckl 0.1.1
============================================================================
# TOTAL: 16
# PASS:  14
# SKIP:  0
# XFAIL: 0
# FAIL:  2
# XPASS: 0
# ERROR: 0

Failing tests:

./tools/test-driver: line 107: 226043 Segmentation fault      (core dumped) "$@" > $log_file 2>&1
FAIL: tests/test_qmckl_determinant
...
./tools/test-driver: line 107: 226277 Segmentation fault      (core dumped) "$@" > $log_file 2>&1
FAIL: tests/test_qmckl_local_energy