Hello all, We are trying to install GROMACS 5.1 using intel/2015b. All goes fine, until testing begins; then we get several failures. However, running "ctest --output-on-failure" on command line after the intel/2015b has been loaded, says all tests have passed.
We get the impression that only part of the environment is passed to the sub shells executing the tests. When we add “runtest = False” in the easyconfig file, all is fine again. Any idea how to avoid writing "runtest = False" in the .eb file? Here’s the easyconfig file: </begin easyconfig-file> name = 'GROMACS' version = "5.1" versionsuffix = '-hybrid' homepage = 'http://www.gromacs.org' description = """GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.""" toolchain = {'name': 'intel', 'version': '2015b'} toolchainopts = {'openmp': True, 'usempi': True} # eg. ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.0.4.tar.gz source_urls = [ 'ftp://ftp.gromacs.org/pub/gromacs/', # GROMACS sources 'http://gerrit.gromacs.org/download/', # regression tests sources ] sources = [ SOURCELOWER_TAR_GZ, 'regressiontests-%(version)s.tar.gz', ] patches = [ 'gromacs-%(version)s_gmxManageMPI_cmake.patch', ] builddependencies = [('CMake', '3.3.2')] dependencies = [('Boost', '1.59.0', '-Python-2.7.10')] # running test command line with module loaded is fine, but not from within the EB environment # runtest = False moduleclass = ‘bio' </end easyconfig-file> — Many thanks for your reply, Franky
