[CP2K:5265] Re: installation problem with OPENMPI and Gfortran 4.4.6

[Marco Olguin]

Hello,

In my case, the gcc/4.8 compiler suite was available on the HPC systems
that I access. So. I only had to switch modules.

module swap gcc/4.6 gcc/4.8

I imagine that a manual installation of the gcc/4.8 compiler suite should
work.

Regards,
Marco


On Tue, Apr 29, 2014 at 11:58 AM, Tong Zhu <z5476... at gmail.com> wrote:

> Dear, Marco
>
> Thank you so much~  Now I know what the problem is.
>
> Did you install Gfortran 4.8 manually?
>
>
> On Tue, Apr 29, 2014 at 11:31 PM, Marco <synerg... at gmail.com> wrote:
>
>> Hello,
>>
>> I encountered the same or similar problem. The issue was resolved by
>> using a newer version of the gfortran compiler (gfortran 4.8).
>>
>> Regards,
>> Marco
>>
>>
>> On Saturday, April 26, 2014 3:52:18 AM UTC-4, Tong Zhu wrote:
>>>
>>> Dear everyone,
>>>
>>> I am compiling cp2k-2.5.1 on my workstation with redhat6.3 OS,
>>> openmpi-1.8 and gfortran 4.4.6
>>>
>>> However, I encountered a confusing problem:
>>>
>>>  /localhome2/zt/fuckm/fmag/cp2k-omp-goto/makefiles/../
>>> src/dbcsr_lib/dbcsr_mm_cannon.F:2789.21:
>>>
>>>                !$OMP ATOMIC READ
>>>                      1
>>> Error: Unclassifiable OpenMP directive at (1)
>>> make[1]: *** [dbcsr_mm_cannon.o] Error 1
>>> make[1]: *** Waiting for unfinished jobs....
>>> make[1]: Leaving directory `/localhome2/zt/fuckm/fmag/
>>> cp2k-omp-goto/obj/Linux-x86-64-gfortran/ssmp'
>>> make: *** [build] Error 2
>>>
>>> Could you please help me to figure it out?
>>>
>>> Thank you so much !!!!
>>>
>>> Tong
>>>
>>>
>>> My arch file Linux-x86-64-gfortran.ssmp is:
>>>
>>>
>>> LD         = gfortran
>>> AR         = ar -r
>>>
>>>
>>> FFTW_INC   = /localhome2/zt/fuckm/fmag/fftwomp/include
>>> FFTW_LIB   = /localhome2/zt/fuckm/fmag/fftwomp/lib
>>> LIBINT_INC = /localhome2/zt/fuckm/fmag/libint/include/libint
>>> LIBINT_LIB = /localhome2/zt/fuckm/fmag/libint/lib
>>> LIBXC_INC  = /localhome2/zt/fuckm/fmag/libxc/include
>>> LIBXC_LIB  = /localhome2/zt/fuckm/fmag/libxc/lib
>>> GOTO_LIB   = /localhome2/zt/fuckm/fmag/GotoBLAS2
>>> SCALAP_LIB = /localhome2/zt/fuckm/fmag/scaomp/lib
>>> OMP_INC    = /localhome2/zt/fuckm/fmag/openmp/include
>>>
>>>
>>> DFLAGS     = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC2 \
>>>              -D__LIBINT_MAX_AM=5
>>> CPPFLAGS   =
>>> FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form
>>> -ffree-line-length-none\
>>>              -fopenmp -ftree-vectorize -funroll-loops\
>>>              -mtune=native\
>>>              -I$(OMP_INC) -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC)
>>> LDFLAGS    = $(FCFLAGS) -static-libgfortran
>>> LIBS       = $(SCALAP_LIB)/libscalapack.a \
>>>              $(FFTW_LIB)/libfftw3.a \
>>>              $(FFTW_LIB)/libfftw3_threads.a \
>>>              $(FFTW_LIB)/libfftw3_omp.a  \
>>>              $(LIBXC_LIB)/libxc.a \
>>>              $(LIBINT_LIB)/libderiv.a \
>>>              $(LIBINT_LIB)/libint.a \
>>>              $(GOTO_LIB)/libgoto2.a \
>>>              -lstdc++
>>>
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>
>
>
> --
> Tong Zhu
> ------------------------------------------------------------------
> State Key Laboratory of Precision Spectroscopy
> & Department of Physics,
> East China Normal University, Shanghai 200062, China
> ------------------------------------------------------------------
> ------------------------------------------------------------------
> 朱通
> 华东师范大学物理系 精密光谱国家重点实验室
> 上海市普陀区中山北路3663号华东师范大学
> 邮编：200062
> ------------------------------------------------------------------
>
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