Changeset 6294b6 for ThirdParty/mpqc_open/src

Timestamp:

Aug 11, 2025, 5:43:56 PM (6 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.

Location:

ThirdParty/mpqc_open/src/bin/mpqc

Files:

• mpqc.cc (modified) (3 diffs)
• mpqc.h (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;
   };