Re: [gmx-users] Gromacs 2020 fails to run adh_cubic_vsites

2020-03-07 Thread David van der Spoel
Den 2020-03-07 kl. 17:04, skrev Rolly Ng: Dear Gromacs developers, I am new to Gromacs and I have recently compiled Gromacs 2020. I tried to run the ADH benchmarks from ftp://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz The adh_cubic and adh_dodec completed successful

[gmx-users] Gromacs 2020 fails to run adh_cubic_vsites

2020-03-07 Thread Rolly Ng
Dear Gromacs developers, I am new to Gromacs and I have recently compiled Gromacs 2020. I tried to run the ADH benchmarks from ftp://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz The adh_cubic and adh_dodec completed successfully, but the adh_cubic_vsites and adh_dodec_vsites

[gmx-users] Gromacs 2020 fails to run adh_cubic_vsites

2020-03-07 Thread Rolly Ng
Dear Gromacs developers, I am new to Gromacs and I have recently compiled Gromacs 2020. I tried to run the ADH benchmarks from ftp://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz The adh_cubic and adh_dodec completed successfully, but the adh_cubic_vsites and adh_dodec_vsites