forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8422 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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9db45bcb92
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@ -186,7 +186,7 @@ void Output::setup(int memflag)
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modify->clearstep_compute();
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writeflag = 0;
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if (every_dump[idump] && ntimestep % every_dump[idump] == 0 &&
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last_dump[idump] < ntimestep) writeflag = 1;
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last_dump[idump] != ntimestep) writeflag = 1;
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if (last_dump[idump] < 0 && dump[idump]->first_flag == 1) writeflag = 1;
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if (writeflag) {
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@ -295,11 +295,13 @@ void Output::write(bigint ntimestep)
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if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->downloadAll();
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for (int idump = 0; idump < ndump; idump++) {
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if (next_dump[idump] == ntimestep && last_dump[idump] < ntimestep) {
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if (next_dump[idump] == ntimestep) {
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if (dump[idump]->clearstep || every_dump[idump] == 0)
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modify->clearstep_compute();
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dump[idump]->write();
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last_dump[idump] = ntimestep;
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if (last_dump[idump] != ntimestep) {
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dump[idump]->write();
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last_dump[idump] = ntimestep;
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}
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if (every_dump[idump]) next_dump[idump] += every_dump[idump];
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else {
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bigint nextdump = static_cast<bigint>
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@ -321,7 +323,7 @@ void Output::write(bigint ntimestep)
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// download data from GPU if necessary
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// eval of variable may invoke computes so wrap with clear/add
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if (next_restart == ntimestep && last_restart != ntimestep) {
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if (next_restart == ntimestep) {
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if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->downloadAll();
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if (next_restart_single == ntimestep) {
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@ -330,7 +332,7 @@ void Output::write(bigint ntimestep)
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*ptr = '\0';
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sprintf(file,"%s" BIGINT_FORMAT "%s",restart1,ntimestep,ptr+1);
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*ptr = '*';
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restart->write(file);
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if (last_restart != ntimestep) restart->write(file);
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delete [] file;
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if (restart_every_single) next_restart_single += restart_every_single;
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else {
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@ -344,12 +346,14 @@ void Output::write(bigint ntimestep)
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}
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}
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if (next_restart_double == ntimestep) {
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if (restart_toggle == 0) {
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restart->write(restart2a);
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restart_toggle = 1;
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} else {
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restart->write(restart2b);
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restart_toggle = 0;
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if (last_restart != ntimestep) {
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if (restart_toggle == 0) {
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restart->write(restart2a);
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restart_toggle = 1;
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} else {
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restart->write(restart2b);
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restart_toggle = 0;
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}
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}
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if (restart_every_double) next_restart_double += restart_every_double;
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else {
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@ -369,9 +373,9 @@ void Output::write(bigint ntimestep)
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// insure next_thermo forces output on last step of run
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// thermo may invoke computes so wrap with clear/add
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if (next_thermo == ntimestep && last_thermo != ntimestep) {
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if (next_thermo == ntimestep) {
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modify->clearstep_compute();
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thermo->compute(1);
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if (last_thermo != ntimestep) thermo->compute(1);
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last_thermo = ntimestep;
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if (var_thermo) {
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next_thermo = static_cast<bigint>
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@ -392,6 +396,7 @@ void Output::write(bigint ntimestep)
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/* ----------------------------------------------------------------------
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force a snapshot to be written for all dumps
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called from PRD and TAD
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------------------------------------------------------------------------- */
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void Output::write_dump(bigint ntimestep)
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