ves regtests failing in GH Actions for Intel: reduce by one more digit #995
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fixes #976 related to #999 * test intel CI * switch to the new default intel compilers * fix for CC * decrease accuracy of rc-cs2backbone regtest * reduced precision of ves regtests * Revert "reduced precision of ves regtests" This reverts commit 272ff40. * decreased accuracy of ermsd derivates btw how are they so noisy? * Revert "decreased accuracy of ermsd derivates" This reverts commit 8153e68. * reduced precision of ermsd derivatives I am afraid that they are almost useless now * fix regtest comparison with +-nan * ifx is not found in intel CI revert to ifort * improve nan comparison fortran intel compiler is not yet well configured * more ifx test * updated intel compiler installation * now it intel compilers should work properly * simplified the nan comparison for the regtests * ves regtests: reduce by one more (#995) (#997) Co-authored-by: Omar Valsson <omar.valsson@gmail.com> * further reduced precision ves regtest * more ves * reset * reset * there is an issue with many xyz file in our regtests because they do not define a box but the parser was going on without errors. now this is fixed but I think we could do it better * work around for missing boxes in xyz file of multiple regtests * astyle --------- Co-authored-by: Omar Valsson <omar.valsson@gmail.com> Co-authored-by: Giovanni Bussi <giovanni.bussi@gmail.com>
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Description
Concerning #990: reduce regtests by one more digit for
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I would like my code to appear in release master
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COPYRIGHTfile with the correct license information. Code should be released under an open source license. I also used the commandcd src && ./header.sh mymodulenamein order to make sure the headers of the module are correct.Tests