On Mon, Mar 27, 2006, Ross Walker wrote:
> Compiling Amber with g95 running in 64 bit mode:
>
> x86_64-unknown-linux-gnu-g95
> G95 (GCC 4.0.3 (g95!) Mar 20 2006)
>
> Gives the error:
>
> g95 -c -O3 -fno-second-underscore -march=nocona -ffree-form
> -I../../sander -o ../obj/doscfqmmm.o ../obj/doscfqmmm.f
> In file ../obj/doscfqmmm.f:732
>
> CALL DIFFP_STAT(DPMAX,ICOUNT,NUM_TOP,IATM_TOP,JATM_TOP, &
> 1
> Error: Type mismatch in parameter 'dpmax' at (1). Passing REAL(4) to
REAL(8)
> make[3]: *** [../obj/doscfqmmm.o] Error 1
>
> This is kind of weird. There is an interface declaration to DIFFP_STAT
that
> declares DPMAX as real*8 but the routine that calls diffp_stat allocated
> DPMAX via an implicit double precision statement at the beginning of the
> routine.
>
> Hence it looks like g95 (64 bit) may treat implicit double precision as
> REAL*4 - seems wrong to me but it looks like this is what it is doing.
There were some bad builds of G95 when they went from gcc 4.0.1 to 4.0.3.
For x86, I'm pretty sure the binary dowloads from both Mar 17 and Mar 21
were
bad ones. [I saw the same errors, but they went away with the March
version.]
So, the first thing is to try grabbing a newer g95. Or, you can get an
older
version that works (from Feb. 28, 2006) at /usr/local/g95-install on
slater.
For me (using the Feb. 28 compiler) everything is fine in serial mode on
my x86_64 machine.
...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Wed Apr 05 2006 - 23:49:34 PDT
