jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

add tests for writing restart files

This commit is contained in:
Axel Kohlmeyer 2021-04-24 01:22:23 -04:00
parent cf81f72aad
commit 6a9b441331
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 107 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

109
unittest/formats/test_file_operations.cpp
View File

@ -11,13 +11,15 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "../testing/core.h"
#include "atom.h"
#include "domain.h"
#include "info.h"
#include "input.h"
#include "lammps.h"
#include "utils.h"
#include "update.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include "../testing/core.h"
#include <cstdio>
#include <mpi.h>
@ -57,6 +59,13 @@ protected:
LAMMPSTest::TearDown();
remove("safe_file_read_test.txt");
}
bool file_exists(const char *file)
{
FILE *fp = fopen(file, "r");
fclose(fp);
return fp ? true : false;
}
};
#define MAX_BUF_SIZE 128
@ -145,6 +154,102 @@ TEST_F(FileOperationsTest, logmesg)
remove("test_logmesg.log");
}
TEST_F(FileOperationsTest, restart)
{
BEGIN_HIDE_OUTPUT();
command("echo none");
END_HIDE_OUTPUT();
TEST_FAILURE(".*ERROR: Write_restart command before simulation box is defined.*",
command("write_restart test.restart"););
BEGIN_HIDE_OUTPUT();
command("region box block -2 2 -2 2 -2 2");
command("create_box 1 box");
command("create_atoms 1 single 0.0 0.0 0.0");
command("mass 1 1.0");
command("reset_timestep 333");
command("comm_modify cutoff 0.2");
command("write_restart noinit.restart noinit");
command("run 0 post no");
command("write_restart test.restart");
command("write_restart step*.restart");
command("write_restart multi-%.restart");
command("write_restart multi2-%.restart fileper 2");
command("write_restart multi3-%.restart nfile 1");
if (info->has_package("MPIIO")) command("write_restart test.restart.mpiio");
END_HIDE_OUTPUT();
ASSERT_TRUE(file_exists("noinit.restart"));
ASSERT_TRUE(file_exists("test.restart"));
ASSERT_TRUE(file_exists("step333.restart"));
ASSERT_TRUE(file_exists("multi-base.restart"));
ASSERT_TRUE(file_exists("multi-0.restart"));
ASSERT_TRUE(file_exists("multi2-base.restart"));
ASSERT_TRUE(file_exists("multi2-0.restart"));
ASSERT_TRUE(file_exists("multi3-base.restart"));
ASSERT_TRUE(file_exists("multi3-0.restart"));
if (info->has_package("MPIIO")) ASSERT_TRUE(file_exists("test.restart.mpiio"));
if (!info->has_package("MPIIO")) {
TEST_FAILURE(".*ERROR: Illegal write_restart command.*",
command("write_restart test.restart.mpiio"););
} else {
TEST_FAILURE(".*ERROR: Restart file MPI-IO output not allowed with % in filename.*",
command("write_restart test.restart-%.mpiio"););
}
TEST_FAILURE(".*ERROR: Illegal write_restart command.*", command("write_restart"););
TEST_FAILURE(".*ERROR: Illegal write_restart command.*",
command("write_restart test.restart xxxx"););
TEST_FAILURE(".*ERROR on proc 0: Cannot open restart file some_crazy_dir/test.restart:"
" No such file or directory.*",
command("write_restart some_crazy_dir/test.restart"););
BEGIN_HIDE_OUTPUT();
command("clear");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 0);
ASSERT_EQ(lmp->update->ntimestep, 0);
ASSERT_EQ(lmp->domain->triclinic, 0);
TEST_FAILURE(
".*ERROR on proc 0: Cannot open restart file noexist.restart: No such file or directory.*",
command("read_restart noexist.restart"););
BEGIN_HIDE_OUTPUT();
command("read_restart step333.restart");
command("change_box all triclinic");
command("write_restart triclinic.restart");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 1);
ASSERT_EQ(lmp->update->ntimestep, 333);
ASSERT_EQ(lmp->domain->triclinic, 1);
BEGIN_HIDE_OUTPUT();
command("clear");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 0);
ASSERT_EQ(lmp->update->ntimestep, 0);
ASSERT_EQ(lmp->domain->triclinic, 0);
BEGIN_HIDE_OUTPUT();
command("read_restart triclinic.restart");
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->natoms, 1);
ASSERT_EQ(lmp->update->ntimestep, 333);
ASSERT_EQ(lmp->domain->triclinic, 1);
// clean up
unlink("noinit.restart");
unlink("test.restart");
unlink("step333.restart");
unlink("multi-base.restart");
unlink("multi-0.restart");
unlink("multi2-base.restart");
unlink("multi2-0.restart");
unlink("multi3-base.restart");
unlink("multi3-0.restart");
unlink("triclinic.restart");
if (info->has_package("MPIIO")) unlink("test.restart.mpiio");
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);