forked from lijiext/lammps
Use GzFileWriter in dump cfg/gz
This commit is contained in:
parent
ded22bf8bc
commit
2682663df6
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@ -11,41 +11,30 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "dump_cfg_gz.h"
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#include "atom.h"
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#include "domain.h"
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#include "dump_cfg_gz.h"
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#include "error.h"
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#include "update.h"
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#include <cstring>
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using namespace LAMMPS_NS;
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#define UNWRAPEXPAND 10.0
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DumpCFGGZ::DumpCFGGZ(LAMMPS *lmp, int narg, char **arg) :
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DumpCFG(lmp, narg, arg)
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{
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gzFp = nullptr;
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compression_level = Z_BEST_COMPRESSION;
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if (!compressed)
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error->all(FLERR,"Dump cfg/gz only writes compressed files");
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}
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/* ---------------------------------------------------------------------- */
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DumpCFGGZ::~DumpCFGGZ()
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{
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if (gzFp) gzclose(gzFp);
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gzFp = nullptr;
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fp = nullptr;
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}
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/* ----------------------------------------------------------------------
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generic opening of a dump file
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ASCII or binary or gzipped
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@ -95,17 +84,12 @@ void DumpCFGGZ::openfile()
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// each proc with filewriter = 1 opens a file
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if (filewriter) {
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std::string mode;
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if (append_flag) {
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mode = fmt::format("ab{}", compression_level);
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} else {
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mode = fmt::format("wb{}", compression_level);
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try {
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writer.open(filecurrent, append_flag);
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} catch (FileWriterException &e) {
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error->one(FLERR, e.what());
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}
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gzFp = gzopen(filecurrent, mode.c_str());
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if (gzFp == nullptr) error->one(FLERR,"Cannot open dump file");
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} else gzFp = nullptr;
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}
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// delete string with timestep replaced
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@ -127,30 +111,30 @@ void DumpCFGGZ::write_header(bigint n)
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if (atom->peri_flag) scale = atom->pdscale;
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else if (unwrapflag == 1) scale = UNWRAPEXPAND;
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char str[64];
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sprintf(str,"Number of particles = %s\n",BIGINT_FORMAT);
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gzprintf(gzFp,str,n);
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gzprintf(gzFp,"A = %g Angstrom (basic length-scale)\n",scale);
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gzprintf(gzFp,"H0(1,1) = %g A\n",domain->xprd);
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gzprintf(gzFp,"H0(1,2) = 0 A \n");
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gzprintf(gzFp,"H0(1,3) = 0 A \n");
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gzprintf(gzFp,"H0(2,1) = %g A \n",domain->xy);
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gzprintf(gzFp,"H0(2,2) = %g A\n",domain->yprd);
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gzprintf(gzFp,"H0(2,3) = 0 A \n");
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gzprintf(gzFp,"H0(3,1) = %g A \n",domain->xz);
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gzprintf(gzFp,"H0(3,2) = %g A \n",domain->yz);
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gzprintf(gzFp,"H0(3,3) = %g A\n",domain->zprd);
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gzprintf(gzFp,".NO_VELOCITY.\n");
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gzprintf(gzFp,"entry_count = %d\n",nfield-2);
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std::string header = fmt::format("Number of particles = {}\n", n);
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header += fmt::format("A = {0:g} Angstrom (basic length-scale)\n", scale);
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header += fmt::format("H0(1,1) = {0:g} A\n",domain->xprd);
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header += fmt::format("H0(1,2) = 0 A \n");
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header += fmt::format("H0(1,3) = 0 A \n");
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header += fmt::format("H0(2,1) = {0:g} A \n",domain->xy);
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header += fmt::format("H0(2,2) = {0:g} A\n",domain->yprd);
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header += fmt::format("H0(2,3) = 0 A \n");
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header += fmt::format("H0(3,1) = {0:g} A \n",domain->xz);
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header += fmt::format("H0(3,2) = {0:g} A \n",domain->yz);
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header += fmt::format("H0(3,3) = {0:g} A\n",domain->zprd);
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header += fmt::format(".NO_VELOCITY.\n");
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header += fmt::format("entry_count = {}\n",nfield-2);
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for (int i = 0; i < nfield-5; i++)
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gzprintf(gzFp,"auxiliary[%d] = %s\n",i,auxname[i]);
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header += fmt::format("auxiliary[{}] = {}\n",i,auxname[i]);
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writer.write(header.c_str(), header.length());
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}
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/* ---------------------------------------------------------------------- */
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void DumpCFGGZ::write_data(int n, double *mybuf)
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{
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gzwrite(gzFp,mybuf,sizeof(char)*n);
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writer.write(mybuf, n);
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}
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/* ---------------------------------------------------------------------- */
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@ -160,11 +144,11 @@ void DumpCFGGZ::write()
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DumpCFG::write();
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if (filewriter) {
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if (multifile) {
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gzclose(gzFp);
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gzFp = nullptr;
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writer.close();
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} else {
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if (flush_flag)
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gzflush(gzFp,Z_SYNC_FLUSH);
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if (flush_flag && writer.isopen()) {
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writer.flush();
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}
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}
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}
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}
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@ -175,16 +159,16 @@ int DumpCFGGZ::modify_param(int narg, char **arg)
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{
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int consumed = DumpCFG::modify_param(narg, arg);
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if (consumed == 0) {
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if (strcmp(arg[0],"compression_level") == 0) {
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if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
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int min_level = Z_DEFAULT_COMPRESSION;
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int max_level = Z_BEST_COMPRESSION;
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compression_level = utils::inumeric(FLERR, arg[1], false, lmp);
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if (compression_level < min_level || compression_level > max_level)
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error->all(FLERR, fmt::format("Illegal dump_modify command: compression level must in the range of [{}, {}]", min_level, max_level));
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return 2;
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try {
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if (strcmp(arg[0],"compression_level") == 0) {
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if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
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int compression_level = utils::inumeric(FLERR, arg[1], false, lmp);
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writer.setCompressionLevel(compression_level);
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return 2;
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}
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} catch (FileWriterException &e) {
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error->one(FLERR, fmt::format("Illegal dump_modify command: {}", e.what()));
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}
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}
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return consumed;
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}
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@ -21,7 +21,7 @@ DumpStyle(cfg/gz,DumpCFGGZ)
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#define LMP_DUMP_CFG_GZ_H
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#include "dump_cfg.h"
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#include <zlib.h>
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#include "gz_file_writer.h"
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namespace LAMMPS_NS {
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@ -31,8 +31,7 @@ class DumpCFGGZ : public DumpCFG {
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virtual ~DumpCFGGZ();
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protected:
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int compression_level;
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gzFile gzFp; // file pointer for the compressed output stream
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GzFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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@ -21,7 +21,6 @@
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#include "domain.h"
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#include "dump_cfg_zstd.h"
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#include "error.h"
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#include "file_writer.h"
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#include "update.h"
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#include <cstring>
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@ -46,7 +45,7 @@ DumpCFGZstd::~DumpCFGZstd()
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/* ----------------------------------------------------------------------
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generic opening of a dump file
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ASCII or binary or zstdipped
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ASCII or binary or compressed
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some derived classes override this function
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------------------------------------------------------------------------- */
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@ -234,7 +234,7 @@ TEST_F(DumpCfgCompressTest, compressed_modify_bad_param)
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command(fmt::format("dump id1 all {} 1 {} {}", compression_style, compressed_dump_filename("modify_bad_param_run0_*.melt.cfg"), fields));
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END_HIDE_OUTPUT();
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TEST_FAILURE(".*ERROR: Illegal dump_modify command: compression level must in the range of.*",
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TEST_FAILURE(".*ERROR on proc 0: Illegal dump_modify command: Compression level must in the range of.*",
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command("dump_modify id1 compression_level 12");
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);
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}
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@ -248,7 +248,7 @@ TEST_F(DumpCfgCompressTest, compressed_modify_multi_bad_param)
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command(fmt::format("dump id1 all {} 1 {} {}", compression_style, compressed_dump_filename("modify_multi_bad_param_run0_*.melt.cfg"), fields));
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END_HIDE_OUTPUT();
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TEST_FAILURE(".*ERROR: Illegal dump_modify command: compression level must in the range of.*",
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TEST_FAILURE(".*ERROR on proc 0: Illegal dump_modify command: Compression level must in the range of.*",
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command("dump_modify id1 pad 3 compression_level 12");
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);
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}
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