Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Rev | Line | |
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[0b990d] | 1 | /*!
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| 2 | ** \file done.cc
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| 3 | ** \ingroup (PSIO)
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| 4 | */
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| 5 |
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| 6 | #include <stdlib.h>
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| 7 | #include <util/psi3/libpsio/psio.h>
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| 8 |
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| 9 | #ifdef PSIO_STATS
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| 10 | #include <time.h>
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| 11 | #endif
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| 12 |
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| 13 | namespace psi3 {
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| 14 | namespace libpsio {
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| 15 |
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| 16 | /*!
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| 17 | ** \ingroup (PSIO)
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| 18 | **
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| 19 | ** PSIO_DONE(): Frees global data used by the I/O routines.
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| 20 | **
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| 21 | ** No arguments.
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| 22 | */
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| 23 |
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| 24 | int psio_done(void)
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| 25 | {
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| 26 | #ifdef PSIO_STATS
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| 27 | int i;
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| 28 | ULI total_read=0, total_write=0;
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| 29 | FILE *io_out;
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| 30 | time_t my_time;
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| 31 | my_time = time(NULL);
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| 32 | io_out = fopen("psio.dat", "a+");
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| 33 | fprintf(io_out, "\nLIBPSIO Read/Write Statistics\n\n");
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| 34 | fprintf(io_out, "Run at: %s\n", ctime(&my_time));
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| 35 | fprintf(io_out, "Unit Read(kB) Write(kB)\n");
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| 36 | fprintf(io_out, "-------------------------------\n");
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| 37 | for(i=0; i < PSIO_MAXUNIT; i++) {
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| 38 | total_read += psio_readlen[i];
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| 39 | total_write += psio_writlen[i];
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| 40 |
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| 41 | if(psio_readlen[i] || psio_writlen[i])
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| 42 | fprintf(io_out, "%3d %10.1f %10.1f\n",i,
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| 43 | ((double) psio_readlen[i])/((double) 1024),
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| 44 | ((double) psio_writlen[i])/((double) 1024));
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| 45 | }
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| 46 | fprintf(io_out, "-------------------------------\n");
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| 47 | fprintf(io_out, "Total %10.1f %10.1f\n",
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| 48 | ((double) total_read)/((double) 1024),
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| 49 | ((double) total_write)/((double) 1024));
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| 50 | fclose(io_out);
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| 51 | free(psio_readlen);
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| 52 | free(psio_writlen);
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| 53 | #endif
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| 54 |
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| 55 | free(psio_unit);
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| 56 |
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| 57 | _psi3_libpsio_state_ = 0;
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| 58 |
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| 59 | return(0);
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| 60 | }
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| 61 |
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| 62 | }
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| 63 | }
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