Bug in switch-off option for MRRR
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
Siesta |
Fix Released
|
High
|
Alberto Garcia |
Bug Description
(Siesta-4.1-b1)
When the SCALAPACK version being used does not contain support for the MRRR method, compilation will fail with a message similar to the following:
rdiag_mrrr.o: In function `m_rdiag_
/root/SW/
/root/SW/
The best course of action is to upgrade SCALAPCK, but if this is not possible, the pre-processor flag -DSIESTA__NO_MRRR can be added to FPP_FLAGS in the arch.make file to turn off this feature.
However, the code section enabled by -DSIESTA_NO_MRRR contains a syntax error (a missing 'CONTAINS' statement), and does not compile.
This behavior is seen at least with gfortran (other compilers might be more permissive)
Changed in siesta: | |
status: | Confirmed → Fix Committed |
Changed in siesta: | |
milestone: | none → 4.1-b2 |
Changed in siesta: | |
status: | Fix Committed → Fix Released |
The problem can be indeed fixed by adding a 'CONTAINS' statement in the dummy section enabled by the pre-processor flag. A patch is attached.
REMEMEBER that Siesta-4.1-b1 is in BETA stage. The stable version is 4.0.