AMBER Archive (2008)

Subject: RE: AMBER: Compailation problum in Amber 10

From: Ranga Swamy (balimidiswamy_at_yahoo.co.in)
Date: Fri Aug 08 2008 - 03:12:56 CDT

Dear Ross,
Thanks for your suggestion.
    I've installed the gfortran version 4.4.0.Then it has done the configuration successfully. But when I do "make serial"  it says the following......

gfortran -c -O0 -fno-range-check -fno-second-underscore -ffree-form -I../../sander -I../src/include -DHAS_LAPACK -DQMMM -o ../obj/dpwritepot.o ../src/pb/dpwritepot.F90
../src/pb/dpwritepot.F90:83.18:

     write(string,'("object 3 class array type double rank 0 items ",I," data f
                 1
Error: Nonnegative width required in format string at (1)
../src/pb/dpwritepot.F90:138.18:

     write(string,'("object 3 class array type double rank 0 items ",I," data f
                 1
Error: Nonnegative width required in format string at (1)
make[3]: *** [../obj/dpwritepot.o] Error 1
make[3]: Leaving directory `/home/amber10/src/dcqtp/mod'
make[2]: *** [libdivcon.a] Error 2
make[2]: Leaving directory `/home/amber10/src/dcqtp'
make[1]: *** [divcon] Error 2
make[1]: Leaving directory `/home/amber10/src/sander'
make: *** [serial] Error 2

I think it says about the size of the variable. Can you please help me if you know3 any thing about it.

Thanks & Regards
B.Ranga Swamy
System Administrator,
Center For Modelling Simulation And Design,
University Of Hyderabad,
INDIA.

----------------------------------------------------------------------------------------------------------------------------------------------------

Hi Srinivas
 
What version of gfortan are you using here? -fno-range-check was an allowed option as of gcc version 4.1.2. If yours is newer then it looks like they have removed this syntax. Note older versions of gfortran has many compiler bugs that would prevent compilation of amber. Hence if your gfortra is older than 4.1.2 you should probably consider upgrading it.
 
For the time being you could try the following.
 
cd $AMBERHOME/src/
cp configure_amber configure_amber.orig
 
Then edit configure_amber. On lines 550 and 551 remove the -fno-range-check.
 
Then save the file and try running the configure_amber script again.
 
Good luck,
Ross
 

From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of srinivas sudani
Sent: Wednesday, August 06, 2008 2:25 AM
To: amber_at_scripps.edu
Subject: AMBER: Compailation problum in Amber 10
 

 

 

 

Dear David,

 

    your assumption is correct. g95 is not able to compile a fortan program properly. But we also used gfortran which is compiling properly. But this also giving the almost same problem as follows......

 
[root_at_headnode src]# ./configure_amber gfortran

Setting AMBERHOME to /home/amber10
Setting up Amber configuration file for architecture: gfortran

Using parallel communications library: none
The MKL_HOME environment variable is not defined.

Testing the C compiler:
      gcc  -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2 -m32 -o testp testp.c
OK
Testing the Fortran compiler:
     gfortran -O0 -fno-range-check -fno-second-underscore -o testp testp.f
f951: error: unrecognized command line option "-fno-range-check"

./configure_amber: line 1169: ./testp: No such file or directory
Unable to compile a Fortran program using gfortran -O0 -fno-range-check -fno-second-underscore

Please check your compiler settings or configure flags.
[root_at_headnode src]#

Can you please guide us in this regard.....

 

Thanking you

S.Srinivas

Sys Admin,

CMSD, University Of Hyderabad, India.

 

 

On 8/2/08, David A. Case <case_at_scripps.edu> wrote:
On Fri, Aug 01, 2008, srinivas sudani wrote:
>
> Testing the Fortran compiler:
>      g95 -O0  -fno-second-underscore -o testp testp.f
> g95: Unrecognized option '-O0'

Looks like a poorly configured g95(?).  Can you compile any fortran programs?
Does it work if you remove the "-O0" flag?

...dac

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B.Ranga Swamy,
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