BUG: Parallel isosurfaces changed between RC26 and 12.0.2
This looks to me like the cutoff, min, max variables are probably not being
initialized in the parallel threads as I would expect the parser to whine if my
syntax needed new extra stuff.
When I run the following:
load "/Users/cshubert/Downloads/1A3N.pdb";
parallel makeIsos{
process{ subset; select {A and PROTEIN}; isoSurface surfaceA
select(within(chain,*:A)) ignore (within(chain,not *:A)) VDW 96 % color
TRANSLUCENT 0.0 [192,208,255] FILL;}
process{ subset; select {B and PROTEIN}; isoSurface surfaceB
select(within(chain,*:B)) ignore (within(chain,not *:B)) VDW 96 % color
TRANSLUCENT 0.0 [176,255,176] FILL;}
process{ subset; select {C and PROTEIN}; isoSurface surfaceC
select(within(chain,*:C)) ignore (within(chain,not *:C)) VDW 96 % color
TRANSLUCENT 0.0 [255,192,200] FILL;}
process{ subset; select {D and PROTEIN}; isoSurface surfaceD
select(within(chain,*:D)) ignore (within(chain,not *:D)) VDW 96 % color
TRANSLUCENT 0.0 [255,255,128] FILL;}
};
set multiProcessor true; show mulitProcessor;
makeIsos;
subset;
In RC 26 I get isosurfaces being drawn for the 4 chains of this hemoglobin
molecule and the following console output:
$
multiProcessor = true
mulitprocessor = <not defined>
0 atoms selected
0 atoms selected
0 atoms selected
0 atoms selected
surfaced created with cutoff=0.0; number of isosurfaces = 1
surfaceb created with cutoff=0.0; number of isosurfaces = 1
surfacec created with cutoff=0.0; number of isosurfaces = 1
surfacea created with cutoff=0.0; number of isosurfaces = 1
$
In 12.0.2 I don't get the isosurfaces for the chains and I get the following
console output:
$
multiProcessor = true
mulitprocessor = <not defined>
0 atoms selected
0 atoms selected
0 atoms selected
0 atoms selected
surfacea created with cutoff=NaN min=0.0 max=0.0; number of isosurfaces = 0
$
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