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Information for RPM dl_poly-mpich-1.10-1.oc9.x86_64.rpm

ID	244166
Build	dl_poly-1.10-1.oc9
Name	dl_poly-mpich
Version	1.10
Release	1.oc9
Epoch
Arch	x86_64
Draft	False
Summary	General purpose classical molecular dynamics (MD) simulation - mpich version
Description	DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the Computational Chemistry Group, (CCG) at Daresbury Laboratory under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases. DL_POLY Classic achieves parallelisation using the Replicated Data strategy which is suitable for homogeneous, distributed-memory, parallel computers. The code is useful for simulations of up to 30,000 atoms with good parallel performance on up to 100 processors, though in some circumstances it can exceed or fail to reach these limits. Reference: I.T. Todorov, W. Smith, K. Trachenko & M.T. Dove, Journal of Materials Chemistry, (2006) 16, 1911-1918 This is a parallel version using mpich.
Build Time	2024-09-20 14:15:54 GMT
Size	921.31 KB
SIGMD5	d2f8ee07e7522ab9047b71738f44503d
License	BSD-3-Clause
Buildroot	dist-oc9-epol-build-101450-65749
Provides	dl_poly-mpich = 1.10-1.oc9 dl_poly-mpich(x86-64) = 1.10-1.oc9
Obsoletes	No Obsoletes
Conflicts	No Conflicts
Requires	dl_poly-common = 1.10-1.oc9 libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.4)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmpifort.so.12()(64bit)(mpich-x86_64) libmvec.so.1()(64bit) libmvec.so.1(GLIBC_2.22)(64bit) mpich rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 rpmlib(PayloadIsXz) <= 5.2-1 rtld(GNU_HASH)
Recommends	No Recommends
Suggests	No Suggests
Supplements	No Supplements
Enhances	No Enhances
Files	1 through 4 of 4 Name Size /usr/lib/.build-id 0.00 B /usr/lib/.build-id/75 0.00 B /usr/lib/.build-id/75/7e000797c185e06410118f754971f0be282d17 45.00 B /usr/lib64/mpich/bin/dl_poly_mpich 2.27 MB
Component of	No Buildroots