Changeset 6294b6

Timestamp:

Aug 11, 2025, 5:43:56 PM (5 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, Candidate_v1.7.1, stable

Children:

c41ce0

Parents:

c099dc

git-author:

Frederik Heber <frederik.heber@…> (05/02/24 22:20:01)

git-committer:

Frederik Heber <frederik.heber@…> (08/11/25 17:43:56)

Message:

MPQCJob mutes output on verbosity level 0 and unmutes else.

• we redirect stdout to /dev/null when verbose level of 0 is set.
• passing on verbosity level to MPQCJob.
• Tested that the verbosity can be changed per executed job and will not be touched with a job of the same verbosity level.

Files:

• ThirdParty/mpqc_open/src/bin/mpqc/mpqc.cc (modified) (3 diffs)
• ThirdParty/mpqc_open/src/bin/mpqc/mpqc.h (modified) (1 diff)
• src/Actions/CommandAction/VerboseAction.cpp (modified) (1 diff)
• src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) (1 diff)
• src/Fragmentation/Automation/FragmentJobQueue.cpp (modified) (1 diff)
• src/Fragmentation/Automation/MPQCFragmentController.cpp (modified) (2 diffs)
• src/Fragmentation/Automation/MPQCFragmentController.hpp (modified) (1 diff)
• src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) (1 diff)
• src/Jobs/MPQCJob.cpp (modified) (1 diff)
• src/Jobs/MPQCJob.hpp (modified) (3 diffs)
• src/Jobs/MPQCJob_Work.cpp (modified) (1 diff)
• src/Jobs/MPQCJob_binding.hpp (modified) (1 diff)

ThirdParty/mpqc_open/src/bin/mpqc/mpqc.cc

@@ -1177 +1177 @@
 }
 
+//!> this is backup for the old ExEnv::out0 stream when we override using /dev/null
+ostream *oldstream = NULL;
+
 /** Performs the main work to calculate the ground state energies, gradients, etc.
  *
@@ -1193 +1196 @@
   // get the basename for output files
   setOutputBaseName(_initvalues.input, _initvalues.output);
+
+  // Based on verbose flag in InitValues, out ExEnv::set_out to nullstream (see out0()) to mute info
+  ofstream nullofstream;
+  if (_initvalues.verbose == 0) {
+    // only change out0 when oldstream is unset, yet
+    if (oldstream == NULL) {
+      ExEnv::out0() << "Muting mpqc's output due to verbosity level of 0." << endl;
+      nullofstream.open("/dev/null");
+      oldstream = &ExEnv::out0();
+      ExEnv::set_out(&nullofstream);
+    }
+  } else {
+    // only revert out0 if oldstream is set, i.e., when it has been changed
+    if (oldstream != NULL) {
+      ExEnv::out0() << "Unmuting mpqc's output due to verbosity level of 1 or larger." << endl;
+      ExEnv::set_out(oldstream);
+      oldstream = NULL;
+    }
+  }
 
   // parse input into keyvalue container
@@ -1477 +1499 @@
       outstream(NULL),
       in_char_array(NULL),
-      values(::values)
+      values(::values),
+      verbose(0)
   {};
 

ThirdParty/mpqc_open/src/bin/mpqc/mpqc.h

@@ -59 +59 @@
     sc::GetLongOpt options;
     sc::Ref< sc::MessageGrp> grp;
+    int verbose;
   };
 

src/Actions/CommandAction/VerboseAction.cpp

@@ -58 +58 @@
     // set new verbosity
     setVerbosity(params.verbosity.get());
-    LOG(0, "Setting verbosity from " << oldverbosity << " to " << params.verbosity.get() << ".");
+    LOG(0, "Setting verbosity from " << oldverbosity << " to " << getVerbosity() << ".");
   } else {
     LOG(0, "Verbosity remains unchanged at " << oldverbosity << ".");

src/Actions/FragmentationAction/FragmentationAutomationAction.cpp

@@ -250 +250 @@
     const bool AddJobsStatus = mpqccontroller.addJobsFromQueue(
         params.DoLongrange.get() ? MPQCData::DoSampleDensity : MPQCData::DontSampleDensity,
-        params.DoValenceOnly.get() ? MPQCData::DoSampleValenceOnly : MPQCData::DontSampleValenceOnly
+        params.DoValenceOnly.get() ? MPQCData::DoSampleValenceOnly : MPQCData::DontSampleValenceOnly,
+        getVerbosity()
         );
     if (AddJobsStatus)

src/Fragmentation/Automation/FragmentJobQueue.cpp

@@ -75 +75 @@
 
   // create job
-  FragmentJob::ptr testJob( new MPQCJob(JobId::IllegalJob, output, begin, end, level) );
+  const int verbose = getVerbosity();
+  FragmentJob::ptr testJob( new MPQCJob(JobId::IllegalJob, output, begin, end, level, verbose) );
   testJob->setPriority(newlines);
   jobs.push_back(testJob);

src/Fragmentation/Automation/MPQCFragmentController.cpp

@@ -54 +54 @@
 bool MPQCFragmentController::addJobsFromQueue(
     const MPQCData::DoLongrange_t _DoLongrange,
-    const MPQCData::DoValenceOnly_t _DoValenceOnly
+    const MPQCData::DoValenceOnly_t _DoValenceOnly,
+    const int _verbose
     )
 {
@@ -66 +67 @@
     job->DoLongrange = _DoLongrange;
     job->DoValenceOnly = _DoValenceOnly;
+    job->verbose = _verbose;
     JobId_t id = getAvailableId();
     if (id == (JobId_t)JobId::IllegalJob) {

src/Fragmentation/Automation/MPQCFragmentController.hpp

@@ -47 +47 @@
   bool addJobsFromQueue(
       const MPQCData::DoLongrange_t _DoLongrange,
-      const MPQCData::DoValenceOnly_t _DoValenceOnly
+      const MPQCData::DoValenceOnly_t _DoValenceOnly,
+      const int _verbose
       );
 

src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp

@@ -294 +294 @@
               JobId::IllegalJob,
               output.str(),
-              fragment_window.begin, fragment_window.end, fragment_window.level)
+              fragment_window.begin, fragment_window.end, fragment_window.level, getVerbosity())
 #else
           new MPQCCommandJob(output.str(), JobId::IllegalJob)

src/Jobs/MPQCJob.cpp

@@ -55 +55 @@
     const double _begin[NDIM],
     const double _end[NDIM],
-    const int _level) :
+    const int _level,
+    const int _verbose) :
   FragmentJob(_JobId),
   DoLongrange(MPQCData::DontSampleDensity),
   DoValenceOnly(MPQCData::DoSampleValenceOnly),
   inputfile(_inputfile),
-  grid(_begin, _end, _level)
+  grid(_begin, _end, _level),
+  verbose(_verbose)
 {
 #ifndef NDEBUG

src/Jobs/MPQCJob.hpp

@@ -39 +39 @@
       const double _begin[NDIM],
       const double _end[NDIM],
-      const int _level);
+      const int _level,
+      const int _verbose);
   virtual ~MPQCJob();
 
@@ -49 +50 @@
   //!> whether to sample just the valence or the total electron and nuclei density
   MPQCData::DoValenceOnly_t DoValenceOnly;
+
+  //!> verbosity level of mpqc: 0 will mute all std out
+  int verbose;
 
 private:
@@ -69 +73 @@
     ar & DoLongrange;
     ar & DoValenceOnly;
+    ar & verbose;
     ar & const_cast<std::string &>(inputfile);
     ar & const_cast<SamplingGridProperties &>(grid);

src/Jobs/MPQCJob_Work.cpp

@@ -73 +73 @@
   initvalues.in_char_array[nfilebase] = '\0';
   initvalues.grp = MessageGrp::get_default_messagegrp();
+  initvalues.verbose = verbose;
   // create unique, temporary name and check whether it exists
   char *tempfilename = NULL;

src/Jobs/MPQCJob_binding.hpp

@@ -25 +25 @@
     const double begin[3] = { 0., 0., 0. };
     const double end[3] = { 1., 1., 1. };
-    MPQCJob job(1, "test.in", begin, end, 2);
+    MPQCJob job(1, "test.in", begin, end, 2, 0);
   }
 }