Re: [gmx-users] Gromacs 2016.3 orte error while running on cluster

HI! WORKS LIKE A CHARM NOW. Thank you for your hints! .-) Am 17.01.2018 um 13:04 schrieb Rainer Rutka: HI! Just a question. We try to start a MPIed job with Gromacs 2016.3 on our cluster-system here in Germany. Unfortunately we get this error: An ORTE daemon has unexpectedly failed after

[gmx-users] Gromacs 2016.3 orte error while running on cluster

-run-pbs.txt THANKS IN ADVANCE! -- Rainer Rutka University of Konstanz Communication, Information, Media Centre (KIM) * High-Performance-Computing (HPC) * KIM-Support and -Base-Services Room: V511 78457 Konstanz, Germany +49 7531 88-5413

[gmx-users] Gromacs 2016.3 FLOATING-POINT EXECPTION/DIVIDE-BY_ZERO errors

D=OFF -DCMAKE_INSTALL_PREFIX=${TARGET_DIR} make 2>&1 | tee ${LOG_DIR}/make_double.out make install 2>&1 | tee ${LOG_DIR}/make-install_double.out [...] ANY HELP IS MUCH APPRECIATED. Thanx in advance. .-) -- Rainer Rutka University of Konstanz Communication, Information, Media Centre (KIM)

[gmx-users] Gromacs 2016.3 FLOATING-POINT EXECPTION/DIVIDE-BY_ZERO errors

D=OFF -DCMAKE_INSTALL_PREFIX=${TARGET_DIR} make 2>&1 | tee ${LOG_DIR}/make_double.out make install 2>&1 | tee ${LOG_DIR}/make-install_double.out [...] ANY HELP IS MUCH APPRECIATED. Thanx in advance. .-) -- Rainer Rutka University of Konstanz Communication, Information, Media Centre (KIM)