PROTIN on alpha machines

ZAGARI at CHEMNA.DICHI.UNINA.IT ZAGARI at CHEMNA.DICHI.UNINA.IT
Tue Jun 22 04:56:04 EST 1993


I have ported PROTIN and PROFFT to run on DEC OpenVMS AXP platform.
I have problems with PROTIN.
In compiling:

	      1       PROGRAM PROTIN
................................
	   1219       SUBROUTINE PLNTAB (NOPLAN,IEOFIN,KRESMP,ISKIPN,ISKIPC)
	   1220 C
	   1498       IACID = IDACD(IRES,ICHAIN)
	   1499       KIND1 = MAXGRP + 1
		..............1          
%FORT-W-UNINIT, (1) Variable MAXGRP is used before its value has been defined
............................
	   1759       SUBROUTINE VDWINR (NOVDW,NONOW,ISID1,VDWCUT)
	   1760 C
	   1897       IF(IRES.EQ.IRESC.AND.IATOM.EQ.ISID1.AND.ID(IA).NE.ICB) GO TO 2190
	   1898       IF(JRES.EQ.JRESN.AND.JATOM.EQ.ISID1.AND.ID(JA).NE.ICB) GO TO 2190
		.................1                                                      
%FORT-W-UNINIT, (1) Variable JRESN is used before its value has been defined
*****************************************************************************
In running it stops giving an access violation error in VDWBTR subroutine.
The same version of PROTIN works properly under other VMS systems. The error
is probably associated to the variable K15 set to 32768.

Any suggestions?

Adriana Zagari     
Zagari at chemna.dichi.unina.it




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