| Les deux révisions précédentesRévision précédenteProchaine révision | Révision précédente |
| documentation:tools:software:amber [2013/12/03 10:55] – [Amber 12] ltaulell | documentation:tools:software:amber [2025/03/12 14:14] (Version actuelle) – supprimée ltaulell |
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| ====== Amber ====== | |
| |
| ===== Amber 12 ===== | |
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| ^ Version ^ Compilateur ^ Interconnexion ^ chemin d'accès ^ OS ^ | |
| | 12 | intel-14.0.1 | N/A | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/seq/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | N/A | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/seq/K20/DPDP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | N/A | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/seq/K20/SPFP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | N/A | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/seq/M2070/DPDP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | N/A | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/seq/M2070/SPFP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | N/A | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/openmp/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | Infiniband | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/openmpi-1.6.4/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | Infiniband | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/openmpi-1.6.4/K20/DPDP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | Infiniband | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/openmpi-1.6.4/K20/SPFP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | Infiniband | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/openmpi-1.6.4/M2070/DPDP/amber12 | Debian 7 | | |
| | 12 | intel-14.0.1 | Infiniband | /Applis/PSMN/debian7/Amber/12/intel-14.0.1-avx2/openmpi-1.6.4/M2070/SPFP/amber12 | Debian 7 | | |
| |
| * Modulefiles correspondant : | |
| <code> | |
| Amber/12-intel-14.0.1-seq | |
| Amber/12-intel-14.0.1-seq-K20-DPDP | |
| Amber/12-intel-14.0.1-seq-K20-SPFP | |
| Amber/12-intel-14.0.1-seq-M2070-DPDP | |
| Amber/12-intel-14.0.1-seq-M2070-SPFP | |
| Amber/12-intel-14.0.1-openmp | |
| Amber/12-intel-14.0.1-openmpi-1.6.4 | |
| Amber/12-intel-14.0.1-openmpi-1.6.4-K20-DPDP | |
| Amber/12-intel-14.0.1-openmpi-1.6.4-K20-SPFP | |
| Amber/12-intel-14.0.1-openmpi-1.6.4-M2070-DPDP | |
| Amber/12-intel-14.0.1-openmpi-1.6.4-M2070-SPFP | |
| </code> | |
| |
| Pour utiliser les modules, consulter [[documentation:tools:modules|Environment Modules]] | |
| |
| * Modèles correspondant (shell ''tcsh'') : | |
| <code> | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-K20-DPDP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-K20-SPFP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-M2070-DPDP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-M2070-SPFP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmp.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-K20-DPDP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-K20-SPFP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-M2070-DPDP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-M2070-SPFP.sh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq.s | |
| </code> | |
| |
| * Modèles correspondant (shell ''bash'') : | |
| <code> | |
| /usr/local/modeles/amber12-intel-14.0.1-openmp.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-K20-DPDP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-K20-SPFP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-M2070-DPDP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-openmpi-1.6.4-M2070-SPFP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-K20-DPDP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-K20-SPFP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-M2070-DPDP.csh | |
| /usr/local/modeles/amber12-intel-14.0.1-seq-M2070-SPFP.csh | |
| </code> | |
| ===== Amber 11 ===== | |
| |
| ^ Version ^ Compilateur ^ Interconnexion ^ chemin d'accès ^ Processeur cible / OS ^ modèle de configuration ^ | |
| | 11 | intel-11.1.069 | N/A | /softs/Amber/amber11/intel/11.1.069/intel/seq/amber11 | intel / Centos 5 | | | |
| | 11 | intel-11.1.069 | openmp | /softs/Amber/amber11/pgi/11.0/amd/openmp/amber11 | intel / Centos 5 | | | |
| | 11 | intel-11.1.069 | infiniband | /softs/Amber/amber11/intel/11.1.069/intel/opempi-1.4.1/amber11 | intel / Centos 5 | | | |
| | | | | | | | | |
| | 11 | pgi-11.0 | N/A | /softs/Amber/amber11/pgi/11.0/amd/seq/amber11 | amd / Centos 5 | | | |
| | 11 | pgi-11.0 | openmp | /softs/Amber/amber11/pgi/11.0/amd/openmp/amber11 | amd / Centos 5 | | | |
| | 11 | pgi-11.0 | infiniband | /softs/Amber/amber11/pgi/11.0/amd/openmpi-1.4.3/amber11 | amd / Centos 5 | | | |
| | | | | | | | | |
| | 11 | gnu-4.7.2 | N/A | /softs/Amber/amber11/gnu/4.7.2/generic/seq/amber11/ | generic / Debian 7 | | | |
| | 11 | gnu-4.7.2 | infiniband | /softs/Amber/amber11/gnu/4.7.2/generic/openmpi-1.4.5/amber11/ | generic / Debian 7 | | | |
| | 11 | gnu-4.7.2 | infiniband | /softs/Amber/amber11/gnu/4.7.2/generic/openmpi-1.6.4/amber11/ | generic / Debian 7 | | | |
| |
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| La documentation, au format ''pdf'' est accessible dans ''/softs/Amber/amber11''. | |
| |
| ===== Amber 9 ===== | |
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| ^ Version ^ Compilateur ^ Interconnexion ^ chemin d'accès ^ Processeur cible / OS ^ modèle de configuration ^ | |
| | 9 | intel-12.0.084 | N/A | /softs/Amber/amber9/intel/12.0.084/seq | x86_64 / Centos 5 | | | |
| | 9 | intel-12.0.084 | infiniband | /softs/Amber/amber9/intel/12.0.084/opempi-1.4.3 | x86_64 / Centos 5 | | | |
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