Jason,
The serial compilation worked now. But the parallel one did not with
error message:
>./configure -openmpi -bintraj ifort_x86_64
>make clean
>make parallel
================
make[3]: Leaving directory `/opt/amber9/src/netcdf/src'
Not making `cxx/install' because no C++ compiler
make[2]: Leaving directory `/opt/amber9/src/netcdf/src'
cp ../netcdf/include/*.mod .
cpp -traditional -Iopenmpi-1.4.2-intel64/include -P -DMPI -DMKL
-DBINTRAJ evb_vars.f > _evb_vars.f
ifort -c -w95 -mp1 -O0 -FR -o evb_vars.o _evb_vars.f
cpp -traditional -Iopenmpi-1.4.2-intel64/include -P -DMPI -DMKL
-DBINTRAJ evb_input.f > _evb_input.f
ifort -c -w95 -mp1 -O0 -FR -o evb_input.o _evb_input.f
cpp -traditional -Iopenmpi-1.4.2-intel64/include -P -DMPI -DMKL
-DBINTRAJ evb_init.f > _evb_init.f
evb_init.f:18: error: mpif.h: No such file or directory
make[1]: *** [evb_init.o] Error 1
make[1]: Leaving directory `/opt/amber9/src/sander'
make: *** [parallel] Error 2
================
BTW, the environment setting is good for the compilation of Amber11.
Any advice?
Best,
Yubo
On Tue, 29 Jun 2010 09:46:24 -0400
Jason Swails <jason.swails.gmail.com> wrote:
> Edit the config.h file and change -lvml to -lsvml wherever it occurs
>in that
> file. Then try again.
>
> Good luck!
> Jason
>
> On Tue, Jun 29, 2010 at 9:39 AM, Yubo Fan
><yubofan.mail.chem.tamu.edu>wrote:
>
>> Hi, everyone,
>>
>> I tried to compile Amber 9 and it failed with the following message:
>>
>> >./configure -bintraj ifort_x86_64
>> >make clean
>> >make serial
>>
>> =====
>> make[2]: `nxtsec.o' is up to date.
>> make[2]: Leaving directory `/opt/amber9/src/lib'
>> ifort -o addles lesmain.o addspace.o readprm.o writprm.o
>>readcrd.o
>> writcrd.o pick.o rline.o nxt.o intgr.o find.o of.o
>> geti.o unit.o getc.o alert.o echo.o get4c.o getd.o
>> wlesprm.o lesprm.o les2prm.o checksz.o ../lib/random.o
>> ../lib/mexit.o ../lib/nxtsec.o
>> -L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lvml -lmkl_lapack
>>-lmkl
>> -lguide -lpthread
>> ld: cannot find -lvml
>> make[1]: *** [addles] Error 1
>> make[1]: Leaving directory `/opt/amber9/src/addles'
>> make: *** [serial] Error 2
>> =====
>>
>> The compiling of Amber 11 was succeeded. The intel compiler is
>>version
>> 11. Is it too new? Any advice?
>>
>> Sincerely,
>>
>> Yubo Fan
>> Computational Chemistry and Drug Design Lab
>> Bioengineering and Bioinformatics Program
>> The Methodist Hospital Research Institute (TMHRI)
>> 6565 Fannin St B5-022
>> Houston, TX 77030
>> Email: yfan.tmhs.org
>> Phone: (713) 441-8681
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
Yubo Fan
Computational Chemistry and Drug Design Lab
Bioengineering and Bioinformatics Program
The Methodist Hospital Research Institute (TMHRI)
6565 Fannin St B5-022
Houston, TX 77030
Email: yfan.tmhs.org
Phone: (713) 441-8681
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 29 2010 - 12:00:03 PDT
