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Test new latest intel compiler on GitHub Action #990

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merged 35 commits into from
Dec 1, 2023
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66ba18f
test intel CI
carlocamilloni Nov 28, 2023
f48281e
switch to the new default intel compilers
carlocamilloni Nov 28, 2023
0a2e4c4
fix for CC
carlocamilloni Nov 28, 2023
e347a04
decrease accuracy of rc-cs2backbone regtest
carlocamilloni Nov 29, 2023
5676706
Merge branch 'master' into test_intel
carlocamilloni Nov 29, 2023
272ff40
reduced precision of ves regtests
carlocamilloni Nov 29, 2023
569a668
Revert "reduced precision of ves regtests"
carlocamilloni Nov 29, 2023
d3e5452
Merge branch 'master' into test_intel
carlocamilloni Nov 29, 2023
8153e68
decreased accuracy of ermsd derivates
carlocamilloni Nov 29, 2023
6803a5d
Revert "decreased accuracy of ermsd derivates"
carlocamilloni Nov 29, 2023
9dfe3dd
reduced precision of ermsd derivatives
carlocamilloni Nov 29, 2023
c570f2b
fix regtest comparison
carlocamilloni Nov 29, 2023
a5410b2
ifx is not found in intel CI revert to ifort
carlocamilloni Nov 29, 2023
863d00d
improve nan comparison
carlocamilloni Nov 29, 2023
62bf905
more ifx test
carlocamilloni Nov 29, 2023
cbad4bd
updated intel compiler installation
carlocamilloni Nov 29, 2023
5da7ac7
now it intel compilers should work properly
carlocamilloni Nov 29, 2023
6b45e2c
Merge branch 'master' into test_intel
carlocamilloni Nov 29, 2023
641b365
simplified the nan comparison for the regtests
carlocamilloni Nov 29, 2023
d0252a8
Merge branch 'master' into test_intel
carlocamilloni Nov 30, 2023
2981195
ves regtests: reduce by one more (#995) (#997)
carlocamilloni Nov 30, 2023
42a8d3c
Merge branch 'master' into test_intel
carlocamilloni Nov 30, 2023
c2c1133
Merge branch 'master' into test_intel
carlocamilloni Nov 30, 2023
8e4c033
further reduced precision ves regtest
carlocamilloni Nov 30, 2023
34139d7
Merge branch 'master' into test_intel
GiovanniBussi Nov 30, 2023
95b0190
more ves
carlocamilloni Nov 30, 2023
f52c0d8
Merge branch 'test_intel' of github.com:plumed/plumed2 into test_intel
carlocamilloni Nov 30, 2023
d5e3af7
Merge branch 'master' into test_intel
GiovanniBussi Nov 30, 2023
9585c4f
Merge remote-tracking branch 'origin/test_intel' into test_intel
GiovanniBussi Nov 30, 2023
50db285
reset
carlocamilloni Nov 30, 2023
4013048
reset
carlocamilloni Nov 30, 2023
de49239
Merge branch 'master' into test_intel
carlocamilloni Nov 30, 2023
ea418fe
there is an issue with many xyz file in our regtests
carlocamilloni Dec 1, 2023
f458057
work around for missing boxes in xyz file of
carlocamilloni Dec 1, 2023
2e7b680
astyle
carlocamilloni Dec 1, 2023
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switch to the new default intel compilers
carlocamilloni committed Nov 28, 2023
commit f48281e51fa324649ddb854985e69dd052aa7e80
6 changes: 3 additions & 3 deletions .github/workflows/linuxWF.yml
Original file line number Diff line number Diff line change
@@ -124,9 +124,9 @@ jobs:
sudo apt-get install intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-mkl intel-oneapi-mkl-devel intel-oneapi-compiler-fortran
source /opt/intel/oneapi/setvars.sh
printenv >> $GITHUB_ENV
echo "CXX=icpc" >> $GITHUB_ENV
echo "CC=icc" >> $GITHUB_ENV
echo "FC=ifort" >> $GITHUB_ENV
echo "CXX=icpx" >> $GITHUB_ENV
echo "CC=icpx" >> $GITHUB_ENV
echo "FC=ifx" >> $GITHUB_ENV
- name: Install MPI
# install MPI at last since it modifies CC and CXX
if: contains( matrix.variant, '-mpi-' )