[CP2K:1101] Re: Linux-x86-64-intel.popt

[Teodoro Laino]

Francesco,

since you're not experiencing any real problem with the code but  
instead with the compiler and the environment
where you are trying to compile cp2k I would suggest you to contact  
the support @ CINECA.
I'm sure they will be happy to help you.

Ciao
Teo

On 10 Jun 2008, at 18:38, Francesco wrote:

>
>
> I know it should be there, but... there isn't...
> Actually, I renamed the Linux-x86-etc etc  into myfile.sopt and
> myfile.popt, so I searched in ../exe/myfile.
> I have there cp2k.sopt, and that's all.
>
> Thanks,
> francesco
>
>
> On Jun 10, 6:33 pm, Axel <akoh... at gmail.com> wrote:
>> On Jun 10, 12:27 pm, Francesco <francesc... at gmail.com> wrote:
>>
>>> Hi,
>>
>>> trying to compile cp2k on a supercomputer.
>>
>> ha-hrm, a cluster... ;-)
>>
>>
>>
>>> The cpu is  Dual-Core AMD Opteron(tm) Processor 2218
>>> mpif90 is /cineca/prod/openmpi/1.2.5/intel/10.1/bin/mpif90
>>> kernel is   2.6.18-53.1.13.el5
>>
>>> I was able to compile cp2k.sopt, having problems with cp2k.popt,  
>>> when
>>> linking various libraries.  Below is the last command I see:
>>
>>> mpif90 -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
>>> D__FFTW3  -I/cineca/prod/libraries/fftw/3.1.2/intel--10.1/ 
>>> include/ -I -
>>> O2 -xW -heap-arrays 64 -fpp -free -D__COMPILE_ARCH="\"cineca\"" -
>>> D__COMPILE_DATE="\"Tue Jun 10 17:53:44 CEST 2008\"" -
>>> D__COMPILE_HOST="\"node1309\"" -D__COMPILE_LASTCVS="\"D\"" -I -o / 
>>> sfs/
>>> sanfs/home/userincm/incsa402/cavallo/cp2k/makefiles/../exe/cineca/
>>> cp2k.popt cp2k.o /sfs/sanfs/home/userincm/incsa402/cavallo/cp2k/
>>> makefiles/../lib/cineca/popt/libcp2k_lib.a /sfs/sanfs/home/userincm/
>>> incsa402/cavallo/cp2k/makefiles/../lib/cineca/popt/ 
>>> libcp2k_fft_lib.a /
>>> sfs/sanfs/home/userincm/incsa402/cavallo/cp2k/makefiles/../lib/ 
>>> cineca/
>>> popt/libcp2k_base_lib.a  /cineca/prod/libraries/SCALAPACK/1.8.0/
>>> openmpi--1.2.5--intel--10.1/libscalapack.a /cineca/prod/libraries/
>>> BLACS/1.1/openmpi--1.2.5--intel--10.1/libblacsCinit.a /cineca/prod/
>>> libraries/BLACS/1.1/openmpi--1.2.5--intel--10.1/libblacs.a /cineca/
>>> prod/acml/3.6.0/ifort64/lib/libacml.a /cineca/prod/acml/3.6.0/ 
>>> ifort64/
>>> lib/libacml_mv.a /cineca/prod/libraries/fftw/3.1.2/intel--10.1/lib/
>>> libfftw3.a
>>
>>> after a while there is a warning message:
>>
>>> /cineca/prod/compilers/intel/fce/10.1.011/lib/libimf.so: warning:
>>> warning: feupdateenv is not implemented and will always fail
>>
>> that is fine. there is no problem here.
>>
>>> make[1]: Leaving directory `/sfs/sanfs/home/userincm/incsa402/ 
>>> cavallo/
>>> cp2k/obj/cineca/popt'
>>
>>> and linking breaks (i.e. no cp2k.popt file in the exe directory)
>>
>> it should be in exe/Linux-x86-64-intel/
>> there is no indication that linking failed.
>>
>> cheers,
>>     axel.
>>
>>> Below is the arch file I used to compile.
>>> Any suggestions ?
>>> Thanks,
>>> francesco
>>
>>> CC       = cc
>>> CPP      =
>>> FC       = mpif90
>>> LD       = mpif90
>>> AR       = ar -r
>>> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS - 
>>> D__SCALAPACK -
>>> D__FFTW3
>>> CPPFLAGS =
>>> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -I/cineca/prod/libraries/fftw/
>>> 3.1.2/intel--10.1/include/ -O2 -xW -heap-arrays 64 -fpp -free
>>> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
>>> LIBS     = /cineca/prod/libraries/SCALAPACK/1.8.0/openmpi--1.2.5--
>>> intel--10.1/libscalapack.a \
>>>            /cineca/prod/libraries/BLACS/1.1/openmpi--1.2.5--
>>> intel--10.1/libblacsCinit.a \
>>>            /cineca/prod/libraries/BLACS/1.1/openmpi--1.2.5--
>>> intel--10.1/libblacsF77init.a \
>>>            /cineca/prod/libraries/BLACS/1.1/openmpi--1.2.5--
>>> intel--10.1/libblacs.a \
>>>            /cineca/prod/acml/3.6.0/ifort64/lib/libacml.a \
>>>            /cineca/prod/acml/3.6.0/ifort64/lib/libacml_mv.a \
>>>            /cineca/prod/libraries/fftw/3.1.2/intel--10.1/lib/
>>> libfftw3.a
>>
>>> OBJECTS_ARCHITECTURE = machine_intel.o
> >