mmka.chem.univ.gda.pl Git - unres.git/commit - source/unres/src

author	Adam Liwo <adam@piasek4.chem.univ.gda.pl>
	Thu, 11 Dec 2014 14:14:41 +0000 (15:14 +0100)
committer	Adam Liwo <adam@piasek4.chem.univ.gda.pl>
	Thu, 11 Dec 2014 14:14:41 +0000 (15:14 +0100)
commit	af72f8e89a5d33f0d86ba898d6c5bbbda4b25b84
tree	b34f8639df7c8a37a98e7c3bbb569969c18c86b1	tree \| snapshot
parent	f9e536df1fd1627429123fe8990edfcdc2cc1a9a	commit \| diff

Created binaries and fixed bugs when compiling single-processor version of the multichain code.

90 files changed:

bin/cluster/unres_clust-ifort.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD	[deleted file]	blob \| history
bin/cluster/unres_clustMD-mult_MPICH-E0LL2Y.exe	[deleted file]	blob \| history
bin/cluster/unres_clustMD-mult_MPICH-GAB.exe	[deleted file]	blob \| history
bin/cluster/unres_clustMD-mult_ifort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD_MPICH-E0LL2Y.exe	[deleted file]	blob \| history
bin/cluster/unres_clustMD_MPICH-GAB.exe	[deleted file]	blob \| history
bin/cluster/unres_clustMD_gfort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD_gfort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD_gfort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD_ifort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD_ifort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/cluster/unres_clustMD_ifort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_gfort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_gfort_MPICH_CASP3.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_gfort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_gfort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_ifort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_ifort_MPICH_CASP3.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_ifort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/CSA/unres_csa_ifort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-D-symetr_gfort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_gfort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_gfort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_gfortran_single_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_gfortran_single_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_gfortran_single_GAB.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_ifort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_ifort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult-symetr_ifort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult_ifort_single_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult_ifort_single_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres-mult_ifort_single_GAB.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_gfort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_gfort_MPICH_E0LL2Y.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_gfort_MPICH_GAB.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_gfortran_single_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_gfortran_single_E0LL2Y.exe		diff \| blob \| history
bin/unres/MD/unres_gfortran_single_GAB.exe		diff \| blob \| history
bin/unres/MD/unres_ifort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe		diff \| blob \| history
bin/unres/MD/unres_ifort_MPICH_GAB.exe		diff \| blob \| history
bin/unres/MD/unres_ifort_single_4P.exe	[new file with mode: 0755]	blob
bin/unres/MD/unres_ifort_single_E0LL2Y.exe		diff \| blob \| history
bin/unres/MD/unres_ifort_single_GAB.exe		diff \| blob \| history
bin/unres/MIN/unres_min_gfortran.exe	[deleted file]	blob \| history
bin/unres/MINIM/unres_Tc_procor_new_em64_min_sumsl_old.exe	[deleted file]	blob \| history
bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe	[deleted file]	blob \| history
bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe	[deleted file]	blob \| history
bin/wham/wham-mult_ifort_MPICH-GAB.exe	[new file with mode: 0755]	blob
bin/wham/wham-mult_ifort_MPICH_D-4P.exe	[new file with mode: 0755]	blob
bin/wham/wham-mult_ifort_MPICH_D-E0LL2Y.exe	[new file with mode: 0755]	blob
bin/wham/wham_ifort_MPICH_4P.exe	[new file with mode: 0755]	blob
bin/wham/wham_ifort_MPICH_E0LL2Y.exe		diff \| blob \| history
bin/wham/wham_ifort_MPICH_GAB.exe	[new file with mode: 0755]	blob
source/cluster/wham/src/Makefile		diff \| blob \| history
source/maxlik/src_CSA/CMakeLists.txt	[deleted file]	blob \| history
source/maxlik/src_CSA/COMMON.CALC	[deleted file]	blob \| history
source/maxlik/src_CSA/COMMON.CALC-single	[deleted file]	blob \| history
source/maxlik/src_CSA/DIMENSIONS	[deleted file]	blob \| history
source/maxlik/src_CSA/Makefile	[deleted file]	blob \| history
source/maxlik/src_CSA/Makefile_tmscore	[deleted file]	blob \| history
source/maxlik/src_CSA/cored.f	[deleted file]	blob \| history
source/maxlik/src_CSA/log	[deleted file]	blob \| history
source/maxlik/src_CSA/maxlik-opt-el.f	[deleted file]	blob \| history
source/maxlik/src_CSA/maxlik-opt-multprot.f	[deleted file]	blob \| history
source/maxlik/src_CSA/maxlik-opt-tmscore.f	[deleted file]	blob \| history
source/maxlik/src_CSA/maxlik-opt.f	[deleted file]	blob \| history
source/maxlik/src_CSA/minsumsl.f	[deleted file]	blob \| history
source/maxlik/src_CSA/rmdd.f	[deleted file]	blob \| history
source/maxlik/src_CSA/sumsld.f	[deleted file]	blob \| history
source/unres/src_MD-M/MD_A-MTS.F		diff \| blob \| history
source/unres/src_MD-M/Makefile	[new symlink]	blob
source/unres/src_MD-M/Makefile_MPICH_gfortran		diff \| blob \| history
source/unres/src_MD-M/Makefile_single_gfortran		diff \| blob \| history
source/unres/src_MD-M/Makefile_single_ifort		diff \| blob \| history
source/unres/src_MD-M/checkvar.f	[new file with mode: 0644]	blob
source/unres/src_MD-M/energy_p_new_barrier.F		diff \| blob \| history
source/unres/src_MD-M/mcm.F		diff \| blob \| history
source/unres/src_MD-M/minim_jlee.F		diff \| blob \| history
source/unres/src_MD-M/readpdb.f	[deleted file]	blob \| history
source/unres/src_MD-M/readrtns_CSA.F		diff \| blob \| history
source/unres/src_MD-M/sc_move.F		diff \| blob \| history
source/unres/src_MD-M/stochfric.F		diff \| blob \| history
source/unres/src_MD-M/test.F		diff \| blob \| history
source/unres/src_MD-M/timing.F		diff \| blob \| history
source/unres/src_MD-M/unres.F		diff \| blob \| history
source/unres/src_MD/Makefile		diff \| blob \| history
source/unres/src_MD/Makefile_single_ifort		diff \| blob \| history
source/unres/src_MD/cinfo.f		diff \| blob \| history

UNRESPACK 3.x

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