[CP2K:5263] Re: installation problem with OPENMPI and Gfortran 4.4.6

Tong Zhu z5476... at gmail.com
Tue Apr 29 15:58:18 UTC 2014


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 a newer version of the gfortran compiler (gfortran 4.8).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
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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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