PPT Slide

•On the command line e.g., `TABLING_MR 5400000;

•From the environment:

setenv TABLING_MR 5400000 # csh

TABLING_MR=5400000 # sh

•By editing $CINCL/default.def

e.g. with a line:

TABLING_MR=5400000

SUBROUTINE TABLING

C ==================

C The dimensions here are influenced by the SCALE and resolution and

C molecular shape, and are very hard to predict

C MA=nat

C MI=max(nat+nats+nz,nr+nd)

C MR=max(nx*ny+4*(nat+nats),2*mt+2*nd)

C MC=nd

C NAT =nb. atoms in PDB file

C NATS =nb. atoms per section

C NX,NY,NZ=cell divisions

C ND =100000

C NR =nb. reflections, 500,000

C MT =dimension of interpolation array (h+2)*(2*k+1)*(2*l+1)

C = 2,200,000

C .. Parameters ..

INTEGER MI,MR,MC

CBIG PARAMETER (MI=1500000,MR=5400000,MC=100000)

PARAMETER (MI=600000,MR=4400000,MC=100000)

C ..

C .. External Subroutines ..

EXTERNAL TABLNDO, CCPALE

C ..

CHARACTER TYPE (3), LENG (3)*10

INTEGER LENDEF (3)

DATA TYPE /'I', 'R', 'C'/,

+ LENG/'TABLING_MI', 'TABLING_MR', 'TABLING_MC'/,

+ LENDEF /MI, MR, MC/

CALL CCPALE (TABLNDO, 3, TYPE, LENG, LENDEF, .TRUE.)

END