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Verzija | Implementacija | Modul | Napomena |
---|---|---|---|
5.1.4 | single precision multithread | gromacs/5.1.4 | Koristiti isključivo uz *mpisingle |
5.1.4 | double precision multithread | gromacs/5.1.4-double | Koristiti isključivo uz *mpisingle |
5.1.4 | single precision MPI | gromacs/5.1.4-mvapich22 | |
5.1.4 | double precision MPI | gromacs/5.1.4-mvapich22-double | |
2018.4 | single precision multithread | gromacs/2018.4 | Koristiti isključivo uz *mpisingle |
2018.4 | double precision multithread | gromacs/2018.4-double | Koristiti isključivo uz *mpisingle |
2018.4 | single precision MPI | gromacs/2018.4-mvapich22 | |
2018.4 | double precision MPI | gromacs/2018.4-mvapich22-double | |
2018.4 | single precision multithread + GPU | gromacs/2018.4-gpu | Koristiti isključivo uz gpusingle |
2018.4 | single precision MPI + GPU | gromacs/2018.4-mvapich2-gpu | |
20192018.36 | single precision multithread + Plumed | gromacs/20192018.36 | Koristiti isključivo uz *mpisingle |
20192018.36 | double precision multithread + Plumed | gromacs/20192018.36-double | Koristiti isključivo uz *mpisingle |
20192018.36 | single precision MPI + Plumed | gromacs/20192018.36-mvapich222019 | |
2018.36 | double precision MPI + Plumed | gromacs/20192018.36-mvapich22-double2019 | |
2018.36 | single precision multithread + GPU + Plumed | gromacs/20192018.36-gpu | Koristiti isključivo uz gpusingle |
20192018.36 | single precision MPI + GPU + Plumed | gromacs/20192018.36-mvapich2-gpu |
CPU verzije
Primjer korištenja višedretvene verzije:
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