From c86b1359e4546c1fc6ed22d20e2be8ea13cf4137 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Fri, 15 Apr 2022 11:39:44 +0200
Subject: [PATCH] [CL] specify phreeqc I/O file name.
---
ChemistryLib/PhreeqcIO.cpp | 5 ++++-
ChemistryLib/PhreeqcIOData/Dump.h | 5 ++++-
ChemistryLib/PhreeqcIOData/Output.cpp | 25 +++++++++++++++++++++++++
ChemistryLib/PhreeqcIOData/Output.h | 6 +-----
4 files changed, 34 insertions(+), 7 deletions(-)
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index 8fc0d98c443..349820eeabc 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -262,6 +262,9 @@ static double averageReactantMolality(
}
} // namespace
+extern std::string specifyFileName(std::string const& project_file_name,
+ std::string const& file_extension);
+
PhreeqcIO::PhreeqcIO(MeshLib::Mesh const& mesh,
GlobalLinearSolver& linear_solver,
std::string const& project_file_name,
@@ -273,7 +276,7 @@ PhreeqcIO::PhreeqcIO(MeshLib::Mesh const& mesh,
std::unique_ptr<Dump>&& dump,
Knobs&& knobs)
: ChemicalSolverInterface(mesh, linear_solver),
- _phreeqc_input_file(project_file_name + "_phreeqc.inp"),
+ _phreeqc_input_file(specifyFileName(project_file_name, ".inp")),
_database(std::move(database)),
_chemical_system(std::move(chemical_system)),
_reaction_rates(std::move(reaction_rates)),
diff --git a/ChemistryLib/PhreeqcIOData/Dump.h b/ChemistryLib/PhreeqcIOData/Dump.h
index 55e3b60aede..d79a89bb759 100644
--- a/ChemistryLib/PhreeqcIOData/Dump.h
+++ b/ChemistryLib/PhreeqcIOData/Dump.h
@@ -21,10 +21,13 @@ namespace ChemistryLib
{
namespace PhreeqcIOData
{
+extern std::string specifyFileName(std::string const& project_file_name,
+ std::string const& file_extension);
+
struct Dump
{
explicit Dump(std::string const& project_file_name)
- : dump_file(project_file_name + ".dmp")
+ : dump_file(specifyFileName(project_file_name, ".dmp"))
{
try
{
diff --git a/ChemistryLib/PhreeqcIOData/Output.cpp b/ChemistryLib/PhreeqcIOData/Output.cpp
index 4e2928c41eb..59d5bc96a22 100644
--- a/ChemistryLib/PhreeqcIOData/Output.cpp
+++ b/ChemistryLib/PhreeqcIOData/Output.cpp
@@ -12,10 +12,35 @@
#include <ostream>
+#ifdef USE_PETSC
+#include <mpi.h>
+#endif
+
namespace ChemistryLib
{
namespace PhreeqcIOData
{
+std::string specifyFileName(std::string const& project_file_name,
+ std::string const& file_extension)
+{
+#ifdef USE_PETSC
+ int mpi_rank;
+
+ MPI_Comm_rank(MPI_COMM_WORLD, &mpi_rank);
+ return project_file_name + "_phreeqc_pid_" + std::to_string(mpi_rank) +
+ file_extension;
+#endif
+
+ return project_file_name + "_phreeqc" + file_extension;
+}
+
+BasicOutputSetups::BasicOutputSetups(std::string const& project_file_name,
+ bool const use_high_precision_)
+ : output_file(specifyFileName(project_file_name, ".out")),
+ use_high_precision(use_high_precision_)
+{
+}
+
std::ostream& operator<<(std::ostream& os,
BasicOutputSetups const& basic_output_setups)
{
diff --git a/ChemistryLib/PhreeqcIOData/Output.h b/ChemistryLib/PhreeqcIOData/Output.h
index 1f270a943eb..99a264511b1 100644
--- a/ChemistryLib/PhreeqcIOData/Output.h
+++ b/ChemistryLib/PhreeqcIOData/Output.h
@@ -24,11 +24,7 @@ class BasicOutputSetups
{
public:
explicit BasicOutputSetups(std::string const& project_file_name,
- bool const use_high_precision_)
- : output_file(project_file_name + "_phreeqc.out"),
- use_high_precision(use_high_precision_)
- {
- }
+ bool const use_high_precision_);
static int getNumberOfItemsInDisplay()
{
--
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