AMBER Archive (2004)

Subject: Re: AMBER: A question on AMBER8 installation

From: Hwankyu Lee (leehk_at_umich.edu)
Date: Wed Oct 13 2004 - 12:53:30 CDT

Dear AMBER users,

Thanks for your reply, I'll attach more information on the compiler and system.

When I typed "ifort -V", I could see below.
 ------------------
Intel(R) Fortran Compiler for 32-bit applications, Version 8.1 Build
20040803Z Package ID: l_fc_p_8.1.018
Copyright (C) 1985-2004 Intel Corporation. All rights reserved.
FOR NON-COMMERCIAL USE ONLY
------------------
When I typed "gcc --version", I could see below.
------------------
gcc (GCC) 3.3.3 20040412 (Red Hat Linux 3.3.3-7)
Copyright (C) 2003 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
------------------

I'm installing AMBER8 on pentium4. What I did is....
setenv AMBERHOME /home/leehk/local/amber8 (and then added directory in .cshrc)
./configure -p4 ifort
make serial

Another thing...after I installed intel compiler v8.1, when I tested that with
simple program, I realized that I need to type "ifort -static-libcxa **.f"
instead of "ifort **.f". Something wrong with the compiler??

Thanks for your help in advance

best,
Hwankyu.

Quoting Scott Brozell <sbrozell_at_scripps.edu>:

> On Wed, 13 Oct 2004, Hwankyu Lee wrote:
>
> > Dear AMBER users,
> >
> > I'm trying to install AMBER8 by using intel fortran compiler(v8.1) on my
> system
> > (pentium4, Linux fedora core 2, enough memory).
> > When I typed "make serial", it was nicely processed for a while, but it
> suddenly
> > got a lot of errors like below (WcCreate.h errors and then WcActCB errors).
> > After that, when I tried "make test", it also shows errors in "cd
> qmmm/divcon;
> > ./Run.crambin fortl: severe (174): SIGSEGV) like below. Could you give me
> any
> > hint to solve this problems? Thanks for your help in advance.
> >
> > Hwankyu.
> >
> > -------------------------
> > In file included from WcCreateP.h:19,
> > from WcActCB.c:30:
> > WcCreate.h:225: warning: parameter names (without types) in function
> declaration
> > WcCreate.h:231: error: syntax error before '*' token
> > WcCreate.h:231: error: syntax error before "char"
> > WcCreate.h:231: error: `Widget' declared as function returning a function
> > WcCreate.h:246: error: syntax error before "char"
> > WcCreate.h:252: error: syntax error before "char"
> > WcCreate.h:261: error: syntax error before "char"
> > WcCreate.h:276: error: syntax error before "char"
> > WcCreate.h:286: error: syntax error before "char"
> > WcCreate.h:299: error: syntax error before "WcSetUndefinedCallback"
> > WcCreate.h:299: warning: parameter names (without types) in function
> declaration
> > WcCreate.h:299: warning: data definition has no type or storage class
> > WcCreate.h:359: error: syntax error before "char"
> > WcCreate.h:387: error: syntax error before "XrmQuark"
> > WcCreate.h:447: error: syntax error before "char"
> > .......same kind of erros repeat....
>
> > On Wed, Oct 13, 2004, Hwankyu Lee wrote:
> > >
> > > I'm trying to install AMBER8 by using intel fortran compiler(v8.1) on my
> > system
> > > (pentium4, Linux fedora core 2, enough memory).
> >
> > In general, when reporting compilation problems we really need to know the
> > following information:
> >
> > 1. The arguments you used to ./configfure
> > 2. The compiler versions you are using.
> > In this case, the output from "ifort -V" and "gcc --version".
> >
> > ...thanks...dac
>
> Yes. Something appears to be amiss on your system.
> Send verbose details if you want more help.
>
> Scott
>
> ps detailed diagnosis aimed at amber developers:
> It appears that XtSpecificationRelease is not defined when WcCreate.h
> is included; WcCreate.h snippet:
> 217 /* -- Wcl requires these XtR4 declarations:
> ***************************
> 217 *****/
> 218 #ifndef XtSpecificationRelease
> 219 #ifdef __STDC__
> 220 typedef void* XtPointer;
> 221 #else
> 222 typedef char* XtPointer;
> 223 #endif
> 224 #ifndef XtName
> 225 extern char* XtName _(( Widget )); /* from ./XtName.c if not in
> libXt
> 225 */
> 226 #endif
> 227 #endif /* !XtSpecificationRelease
> ***********************************
> 227 ******/
> 228
> 229 /* -- Function Pointer Typedefs
> 230 */
> 231 typedef Widget (*WcWidgetConstructor)
> _((Widget,char*,ArgList,Cardinal)
> 231 );
>
> Normally XtSpecificationRelease is defined in
> /usr/X11R6/include/X11/Intrinsic.h
> which is included very early in the compilation.
> The problem with the attempt in WcCreate.h to handle situations
> in which XtSpecificationRelease is not defined is that Widget is also
> defined via
> /usr/X11R6/include/X11/Intrinsic.h
> Thus the error on 225 propagates to 231 etc.
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