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 |
SSDEEP | 98304:pBibKaqH3s2TLBQUtO4kywRiWhICxkUNN/FYZtg8NOd/B4hkcQa9aJBKn2GbH25w:WWTLBf2ka/6OthaiUn2YuYO3Y |
TLSH | T109963B4EB0D12C7CFE9B797056A6B427A5243619026C2DEA17C35D1C1E26F102FB7E2B |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
FileSize | 798 |
MD5 | AF63DA52304E006F3FE8DFF8D9C22365 |
SHA-1 | D1C7F317A46AA0D135F06DEA00AE1F4A76AEDFE6 |
SHA-256 | 61C457D19226087583D2C31130EC1368EF081B387AAB32CE5ADD17EF56EEB98A |
SSDEEP | 24:T7dFp/0gARrMe/l7AOsfDbh0JXFDuF4fO7:TBVCrM9OGiJlJf8 |
TLSH | T12701153DBDC8936010C2D995D20C59D8C329851817BCC581395D765D8B0043627DFD76 |
Key | Value |
---|---|
FileName | ./usr/share/man/man1/mdrun_mpi.openmpi.1.gz |
FileSize | 5619 |
MD5 | 6DD2BA7F631B6CCB9F147D967A1D22C5 |
SHA-1 | A787B37728ECB04EEFE6B84BF03F3B900D8B9A1C |
SHA-256 | CFECAFAD69D47543E89301FFCD0A393308F5B352D8A817E5EC18FA8209FDD238 |
SSDEEP | 96:cI9OVbjL+oxaMvrsmItihpng7XYxDtsdJ0OeRUAP+Fwkj/SgKYcn5B2:UVfRxaksmvng7UwiJR3k+gKYa5w |
TLSH | T1E4C18FF5110868EDE108574A971E2CF0C9C5F324DBDFCE614A13BE93D219793A6C9515 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
FileSize | 57 |
MD5 | DE33869B41EF132EA6AEB41D4E77AEFC |
SHA-1 | 04B069CA202F35160587D309CC6718FFE8C54F4A |
SHA-256 | 97D174E0E5DA883099180E9C739DB82C61DF06F7EEDCAFDBCC1E05CFE893A588 |
SSDEEP | 3:OJb1LHL6MTjFHnVKTR:mR/6MtVqR |
TLSH | T1A190029282D5C06A01D2CD54E1844075CAD0958927985640512014619D5971A98CD5BA |
Key | Value |
---|---|
FileName | ./usr/share/doc/libgromacs5/copyright |
FileSize | 30450 |
MD5 | F62B0E354DDC5702D6CAAC8224B8E188 |
SHA-1 | 8934DB79E17F71E791D6F9F2E828EE2B95410A35 |
SHA-256 | B92B8CC7E2AAA47DC7D6B75FB1D8CA576AF1C35407FCA872DE7668C79640EB6C |
SSDEEP | 768:vZtl2Roba/tyvJDLAfiIqBd3j12lRDLwjFljAsGw2Vjlbqxb+Fo7W1:H4/svJAfi9n2lRoljAsGw2VBWW2W1 |
TLSH | T18FD2F86B334403B319E20791A65998C9F22F913E77276A44787DD208233BB2DDBFB494 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
FileSize | 59 |
MD5 | 21ACEFEBA9F4276C423FB89E2540ABBE |
SHA-1 | 954B538CB6D223C314D5DE33389BD54F6CB4890F |
SHA-256 | D924FAB89D56C3229CA91C530F4175070B05A32C4C218C73F29DA3E79EF63C05 |
SSDEEP | 3:OJb1LHL6MTjFHnVL:mR/6MtVL |
TLSH | T1C9A0029242D5C06A01D2DD44E1888070CBD0954D66985640522015619D9871794CD5AA |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-openmpi/changelog.Debian.gz |
FileSize | 1291 |
MD5 | 6305923CF098CEDB77A80C3622C3F1E2 |
SHA-1 | 2BC438BF930EA25D84B4692145792A46B05F5FB8 |
SHA-256 | 2C8D5DC6966EB6B383A63B916F1732C438D9175A98C7C6EBF09E2FAB01EB8B9B |
SSDEEP | 24:XpUIo1X1DRYq/AYHbDbHMidzMbQl3dK2GdCSDHEUBiXQmCC8OPST:XLg/YqJHDsidzTl3dKPwSYURmCCXg |
TLSH | T13C211A0E70924B77B30B28D64ECC1A0145E939572A97E9C05DCD0E05E6FE7E54304DCE |