source: ThirdParty/Makefile.am

Candidate_v1.6.1
Last change on this file was fbf005, checked in by Frederik Heber <heber@…>, 8 years ago

HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker.

  • This stops the problems with MemDebug and mpqc when linking against libLinearAlgebra in debug mode: static global variables in libLinAlg are allocated using MemDebug (prefixed with a checksum) but are deallocated using normal libc's free() on exit. This causes an invalid free() as the ptr given to free points inside the block and not at its start. The problem comes from mpqc's use of own new and delete implementation. I'm guessing its reference counting is the culprit. Hence, we need to separate these two compilations from another in different units/libraries. Therefore, we have split off libmolecuilder_mpqc, .._mpqc_extract and additionally place the MPQCJob::Work() implementation inside libMolecuilderJobs_Work.
  • libmolecuilder_mpqc contains all MPQC's code in mpqc.cc (and linked libraries) that is not the main() function.
  • libmolecuilder_mpqc_extract contains functions that extract results such as energies, forces, charge grids from the obtained mpqc solution. These were added by myself to the mpqc code before.
  • molecuilder_mpqc is then linked against a NoOp .._extract library version. Thereby, it does not use any of the Molecuilder or related libraries and does not come in contact with MemDebug.
  • molecuilder_poolworker however is linked with the full .._extract library and hence performs these extractions.
  • poolworker now executes MPQCJob, MPQCCommandJob, and VMGJob and therefore needs to enforce binding to all of them.
  • TESTS: renamed molecuilder_mpqc.in to molecuilder_poolworker.in.
  • Property mode set to 100644
File size: 270 bytes
RevLine 
[6e12a6]1ACLOCAL_AMFLAGS = -I m4
2
3SUBDIRS=
4if COND_COMPILE_CODEPATTERNS
5SUBDIRS += CodePatterns
6endif
[93ea13d]7if COND_COMPILE_LEVMAR
8SUBDIRS += levmar
9endif
[79b089]10if COND_COMPILE_VMG
11SUBDIRS += vmg
12endif
[6e12a6]13if COND_COMPILE_JOBMARKET
14SUBDIRS += JobMarket
15endif
[fbf005]16SUBDIRS += LinearAlgebra mpqc_open
[6e12a6]17
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