PROTIN on alpha machines

Adrian Goldman, BTK x8029 GOLDMAN at ALA.BTK.UTU.FI
Wed Jun 23 01:37:35 EST 1993


In <1993Jun22.075304.19191 at gserv1.dl.ac.uk> ZAGARI at CHEMNA.DICHI.UNINA.IT writes:

> 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.

I haven't done any coding on alpha -- just dragged Xplor across there,
compiled & run it but two thoughts cross my mind.

(1)  given your compiler errors above, why don't you initialise Maxgrp and
     Jresn?  I assume they should be 0.
(2)  The alpha is a 64-bit machine and I *think* the integers and reals
     may be declared as 8 bytes long by default, not 4 bytes.  Maybe you
     want to change all the REAL to REAL*4 etc.

          Just my 2c.  

                    Adrian

Adrian Goldman                         |  Internet:  Goldman at Ala.BTK.UTu.Fi
Centre for Biotechnology,              |  Bitnet:    AGoldman at Finabo
P. O. Box 123,                         |  Phone:     358-21-6338029   
Turku, SF-20521                        |  Fax:       358-21-6338000   
Finland.                               |                              




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