Re: amber-developers: Problems compiling Amber 10

From: Scott Brozell <sbrozell.scripps.edu>
Date: Wed, 14 Mar 2007 14:40:06 -0800

Hi,

Yes, I also have had problems building dcqtp related programs.
I believe that the dcqtp people are working on this.
In the interim, I have been commenting out the dcqtp building
in src/Makefile and using

./configure -nosanderidc ...

In my opinion nosanderidc is a very poor choice of name because it
is not obvious that idc refers to divcon or dcqtp.
I suggest that it be renamed or that an additional name be included, eg

sander_without_dcqtp_support

Scott

On Wed, 14 Mar 2007, Gustavo Seabra wrote:

> Hi,
>
> Is anyone else having trouble compiling Amber 10 from the CVS tree?
>
> I just checked out a new version and can't compile the serial version.
> No matter what options I use, the serial compilation always stops with
> the message below.
>
> Gustavo.
>
> ----------------------------------------------------------------------------------------------------------------
>
> ifort -o ../dcqtp ../obj/chgRdKeys.o ../obj/ioRdKeys.o
> ../obj/ioRdTail.o ../obj/dcRdKeys.o ../obj/dcRdTail.o
> [... large paragraph clipped ...]
> ./obj/setunit.o ../obj/strcatf.o ../obj/upcase.o ../obj/wdjoin.o
> ../obj/whatis.o ../obj/zmake.o ../obj/spinclean.o -lsvml
> -L/opt/intel/ict/2.0.1/cmkl/8.1/lib/32 -lvml -lmkl_lapack -lmkl -lguide
> -lpthread ../../lapack/lapack.a ../../blas/blas.a
> ../obj/computeDimSizes.o(.text+0x37): In function
> `computenatomsnresidues_.J':
> : undefined reference to `qmmm_module_mp_qmmm_struct_'
> ../obj/computeDimSizes.o(.text+0x1ab): In function
> `computenatomsnresidues_.A':
> : undefined reference to `qmmm_module_mp_qmmm_struct_'
> ../obj/computeDimSizes.o(.text+0x1c8): In function
> `computenatomsnresidues_.A':
> : undefined reference to `qmmm_module_mp_qmmm_struct_'
> ../obj/fock.o(.text+0x9e5): In function `fock_.J':
> : undefined reference to `hcorecl_'
> ../obj/fock.o(.text+0x416c): In function `fock_.A':
> : undefined reference to `hcorecl_'
> ../obj/fock_uhf.o(.text+0x72f): In function `focku_.J':
> : undefined reference to `hcorecl_'
> ../obj/fock_uhf.o(.text+0x41b3): In function `focku_.A':
> : undefined reference to `hcorecl_'
> make[2]: *** [../dcqtp] Error 1
> make[2]: Leaving directory
> `/scr/arwen_2/seabra/amber10/serial/src/dcqtp/mod'
> make[1]: *** [install] Error 2
> make[1]: Leaving directory `/scr/arwen_2/seabra/amber10/serial/src/dcqtp'
> make: *** [serial] Error 2
>
> [1]+ Exit 2 make serial 1>&make_serial.log
>
>
>
>
Received on Sun Mar 18 2007 - 06:07:11 PDT
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