AMBER Archive (2005)

Subject: Re: AMBER: AMBER 8 installation problem -- undefined reference to `EXIT'

From: Wei Zhang (zweig_at_pku.edu.cn)
Date: Wed Mar 23 2005 - 18:49:14 CST

Dear Lu,

I didn't have absoft 9.0 so I can't reproduce the error you got, but according to you
description, I think it could be solved by:

find the file mdread.f in $AMBERHOME/src/sander, change Line 489 from
      type( const_ph_info ), intent( out ) :: stateinf(0:TITR_RES_C-1)
to:
      type( const_ph_info ) :: stateinf(0:TITR_RES_C-1)

and Line 490 from:
      type( const_ph_info ), intent( out ) :: resstate(0:TITR_RES_C-1), protcnt(0:TITR_STATES_C-1)
to
      type( const_ph_info ) :: resstate(0:TITR_RES_C-1), protcnt(0:TITR_STATES_C-1)

and re-compile. please try it.

Good Luck!

Wei Zhang
----- Original Message -----
From: <luckyang_at_gmail.com>
To: <amber_at_scripps.edu>
Sent: Thursday, March 24, 2005 6:18 AM
Subject: Re: AMBER: AMBER 8 installation problem -- undefined reference to `EXIT'

> Dear Dr. Zhang,
>
> Thank you very much for your suggestions. I solve the "EXIT", "getarg"
> problems by adding " -lU77" at the end of the line 59 of config.h
>
> But I still can not compile AMBER 8 with ABSOFT v9.0 due to the
> following errors.
> ****************************************************************************************************
> cf90-1640 f90fe: ERROR CNSTPHREAD, File = _mdread.f, Line = 1493, Column = 39
> Dummy arguments with the INTENT(OUT) attribute must be defined before use.
>
> = chrgdat(stateinf(itres)%first_charge + iatom &
> !corresponding atom charge value
> ^
> cf90-1640 f90fe: ERROR CNSTPHREAD, File = _mdread.f, Line = 1494, Column = 42
> Dummy arguments with the INTENT(OUT) attribute must be defined before use.
>
> + resstate(itres) * stateinf(itres)%num_atoms & !from
> selected new state
> ^
> *************************************************************************************************
> I see that Dr. Case have discussed this problem in this archive:
> http://amber.ch.ic.ac.uk/archive/200409/0263.html
> I followed his suggestion and I get new problems as follow:
>
> ***************************************************************************************************
> cf90-113 f90fe: ERROR CNSTPHREAD, File = _mdread.f, Line = 1468, Column = 1
> IMPLICIT NONE is specified in the local scope, therefore an explicit
> type must be specified for data object "C".
> ^
> cf90-724 f90fe: ERROR CNSTPHREAD, File = _mdread.f, Line = 1468, Column = 5
> Unknown statement. Expected assignment statement but found "t"
> instead of "=" or "=>".
>
> + resstate(itres) * stateinf(itres)%num_atoms & !from
> selected new state
> ^
> cf90-1640 f90fe: ERROR CNSTPHREAD, File = _mdread.f, Line = 1496, Column = 32
> Dummy arguments with the INTENT(OUT) attribute must be defined before use.
>
> character(len=1) atsymb,atsymb2
> *****************************************************************************************************
>
> Do you have idea about it?
>
> Thanks,
>
> Lu
>
>
> On Wed, 23 Mar 2005 09:34:26 +0800, Wei Zhang <zweig_at_pku.edu.cn> wrote:
> > Dear Lu,
> >
> > sorry, the last solution seems not to be a good one. try this:
> >
> > ./configure absoft
> > edit config.h, make sure Line 50 is fc= f90, not fc= f90 -YEXT_NAMES=lcs,
> > that means cancel my last suggestion.
> >
> > then,
> > turn Line 59 from,
> > LOAD = f90 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
> > to
> > LOAD = f90 $(LOCALFLAGS) $(AMBERBUILDFLAGS) -lU77 -L/opt/absoft/lib
> > Here I assume your absoft is installed on the directory /opt/absoft as mine does and there is
> > a file libU77.a in the directory /opt/absoft/lib
> >
> > then,
> >
> > make clean
> > make
> >
> > That might work Good Luck!
> >
> > Wei Zhang
> >
> >
> > ----- Original Message -----
> > From: <luckyang_at_gmail.com>
> > To: <amber_at_scripps.edu>
> > Sent: Wednesday, March 23, 2005 8:46 AM
> > Subject: Re: AMBER: AMBER 8 installation problem -- undefined reference to `EXIT'
> >
> > > Dear Dr. Zhang,
> > >
> > > Many thanks, Your solution solves the "exit" problem. Now I got new
> > > problems during compiling sander:
> > >
> > > cf90-1640 f90fe: ERROR CNSTPHREAD, File = _mdread.f, Line = 1493, Column = 39
> > > Dummy arguments with the INTENT(OUT) attribute must be defined before use.
> > >
> > > = chrgdat(stateinf(itres)%first_charge + iatom &
> > > !corresponding atom charge value
> > >
> > > I also meet get the following when I compile nmode:
> > >
> > > new_stuff.o(.text+0x1adf): In function `politr':
> > > : undefined reference to `wallclock'
> > > nmdfil.o(.text+0x189): In function `nmdfil':
> > > : undefined reference to `iargc'
> > > nmdfil.o(.text+0x1c2): In function `nmdfil':
> > > : undefined reference to `getarg'
> > > ../lib/sys.a(sys.o)(.text+0x26): In function `amdate':
> > > : undefined reference to `fdate'
> > > ../lib/sys.a(sys.o)(.text+0x10b): In function `amflsh':
> > > : undefined reference to `flush'
> > >
> > > Is this due to my compiler?
> > >
> > > Thanks,
> > >
> > > Lu
> > > -----------------------------------------------------------------------
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