| Key | Value |
|---|---|
| FileSize | 6615732 |
| MD5 | 879A0404469D751ADEC537C5D1E8117E |
| PackageDescription | Molecular dynamics sim, binaries for OpenMPI parallelization 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. . It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers. . This package contains only the core simulation engine with parallel support using the OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines. |
| PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | gromacs-openmpi |
| PackageSection | science |
| PackageVersion | 2020.6-2 |
| SHA-1 | FD40D59B105A25937C8096303DEA37579D41C746 |
| SHA-256 | 3C7370CFCEA2BC595C7FB9D947ACD17A295E095393402E2EAA5030E152194F20 |
| hashlookup:children-total | 9 |
| hashlookup:trust | 50 |
The searched file hash includes 9 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 8502632 |
| MD5 | 76CFCD0CD2067E55F7DD786F28CEEE55 |
| SHA-1 | C4A2F2E4F99951083B1A0C65B2569F87B6F77419 |
| SHA-256 | 0C1297B95DABD1409843834D0FC63D5B5295EACCE7013ADB2637846560836EA7 |
| SSDEEP | 196608:6Wo13Yj4I+jtYqBwV2r6TqIM3iQ34sNial:6TZIM6a |
| TLSH | T1BF865B06B5ED94E8D49B9C3063EAF42BF921341206252AE733E1592C6F33B541F71E6B |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
| SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
| SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
| SSDEEP | 12:zHHAodrnhL/F/jIwtAodrnhL/F8IwkAj0YBCAodrnhL/F/jOmB/WOAodrnhL/F8R:znAod79F/jRAod79F8r9EAod79F/jTez |
| TLSH | T193E030A6E1C49037618A4D9AC2DA97749381E188F772BA85ABC842930B522061A494AC |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
| FileSize | 8891720 |
| MD5 | 2830FBF0073501A60F045F79017BA5AD |
| SHA-1 | 914AEB14A043C10BC0D7BEC26E2BCFE8F8705887 |
| SHA-256 | 53814B2ED5DA34F9689C41666A2FBE83EC8284AC99DBAAFDE1E020E931056173 |
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| TLSH | T109963B4EB0D12C7CFE9B797056A6B427A5243619026C2DEA17C35D1C1E26F102FB7E2B |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
| FileSize | 798 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.openmpi.1.gz |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
| FileSize | 57 |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
| FileSize | 59 |
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| Key | Value |
|---|---|
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