CP2K installation error.

Kalyanashis Jana kalyan.... at gmail.com
Thu Jul 30 09:32:51 CEST 2015


Hi Alfio,
I have downloaded cp2k-2.6.1 version and run the install_cp2k_toolchain.sh.
It has downloaded required softwares and generated local.popt, sopt etc
file. After that, I have copied them to arch folder and run make command
what I was instructed.
But I got the following error
"make[3]: *** [ma_config.o] Error 1
cc1: error: unrecognized command line option "-Wc-binding-type"
cc1: error: unrecognized command line option "-Wintrinsic-shadow"
cc1: error: unrecognized command line option "-Wintrinsics-std"
cc1: error: unrecognized command line option "-Wno-tabs"
cc1: error: unrecognized command line option "-Wrealloc-lhs-all"
cc1: error: unrecognized command line option "-Wtarget-lifetime"
cc1: error: unrecognized command line option "-Wunused-but-set-variable"
/soft/bishwajit/cp2k-2.6.1/src/ma/ma_config.F:0: error: bad value (native)
for -march= switch
/soft/bishwajit/cp2k-2.6.1/src/ma/ma_config.F:0: error: bad value (native)
for -mtune= switch
make[3]: *** [ma_config.o] Error 1
cc1: error: unrecognized command line option "-Wc-binding-type"
cc1: error: unrecognized command line option "-Wintrinsic-shadow"
cc1: error: unrecognized command line option "-Wintrinsics-std"
cc1: error: unrecognized command line option "-Wno-tabs"
cc1: error: unrecognized command line option "-Wrealloc-lhs-all"
cc1: error: unrecognized command line option "-Wtarget-lifetime"
cc1: error: unrecognized command line option "-Wunused-but-set-variable"
/soft/bishwajit/cp2k-2.6.1/src/ma/ma_kinds.F:0: error: bad value (native)
for -march= switch
/soft/bishwajit/cp2k-2.6.1/src/ma/ma_kinds.F:0: error: bad value (native)
for -mtune= switch
make[3]: *** [ma_kinds.o] Error 1
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
cc1: error: unrecognized command line option "-Wc-binding-type"
cc1: error: unrecognized command line option "-Wintrinsic-shadow"
cc1: error: unrecognized command line option "-Wintrinsics-std"
cc1: error: unrecognized command line option "-Wno-tabs"
cc1: error: unrecognized command line option "-Wrealloc-lhs-all"
cc1: error: unrecognized command line option "-Wtarget-lifetime"
cc1: error: unrecognized command line option "-Wc-binding-type"
cc1: error: unrecognized command line option "-Wunused-but-set-variable"
cc1: error: unrecognized command line option "-Wintrinsic-shadow"
cc1: error: unrecognized command line option "-Wintrinsics-std"
cc1: error: unrecognized command line option "-Wno-tabs"
cc1: error: unrecognized command line option "-Wrealloc-lhs-all"
cc1: error: unrecognized command line option "-Wtarget-lifetime"
cc1: error: unrecognized command line option "-Wunused-but-set-variable"
/soft/bishwajit/cp2k-2.6.1/src/ma/ma_kinds.F:0: error: bad value (native)
for -march= switch
/soft/bishwajit/cp2k-2.6.1/src/ma/ma_kinds.F:0: error: bad value (native)
for -mtune= switch
make[3]: /soft/bishwajit/cp2k-2.6.1/src/ma/machine_architecture_types.F:0:
error: bad value (native) for -march= switch
*** [ma_kinds.o] Error
1/soft/bishwajit/cp2k-2.6.1/src/ma/machine_architecture_types.F:0: error:
bad value (native) for -mtune= switch

make[3]: *** [machine_architecture_types.o] Error 1
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 2"






AND THE LOCAL.POPT file is here

"CC       = gcc
CPP      =
FC       = mpif90
LD       = mpif90
AR       = ar -r
WFLAGS   = -Waliasing -Wampersand -Wc-binding-type -Wintrinsic-shadow
-Wintrinsics-std -Wline-truncation -Wno-tabs -Wrealloc-lhs-all
-Wtarget-lifetime -Wunderflow -Wunused-but-set-variable -Wunused-variable
-Wconversion -Werror
DFLAGS   = -D__LIBINT -D__FFTW3 -D__LIBXC2 -D__LIBINT_MAX_AM=6
-D__LIBDERIV_MAX_AM1=5 -D__parallel -D__SCALAPACK
FCFLAGS  = -I$(CP2KINSTALLDIR)/include -std=f2003 -fimplicit-none
-ffree-form -fno-omit-frame-pointer -g -O1 -O3 -march=native -ffast-math
$(DFLAGS) $(WFLAGS)
LDFLAGS  = -L$(CP2KINSTALLDIR)/lib $(FCFLAGS)
CFLAGS   = $(DFLAGS) -I$(CP2KINSTALLDIR)/include -fno-omit-frame-pointer -g
-O1
LIBS     = -lxc -lderiv -lint  -lscalapack -lreflapack -lrefblas -lstdc++
-lfftw3"

Please kindly help me...

On Mon, Jul 27, 2015 at 7:34 PM, Alfio Lazzaro <alfio.... at gmail.com>
wrote:

> I'm sorry, I don't have experience with Intel MPI... Is there any reason
> why you are using Intel tools? Anyway, probably someone else can answer
> better to your question.
> BTW, you can find the toolchain script here:
>
> http://svn.code.sf.net/p/cp2k/code/trunk/cp2k/tools/toolchain/
>
> You can probably move to a new CP2K version and use the toolchain to
> compile everything.
>
> Alfio
>
>
>
> 2015-07-27 15:29 GMT+02:00 Kalyanashis Jana <kalyan.... at gmail.com>:
>
>> Okay. I have compiled the intel MPI in /home1/bganguly/intel directory.
>> During installtion, it has asked whether I would like to install in
>> /home1/bganguly/intel directory. After that, I could not find out the mkl
>> and other directories in the intel directory. But MPI command did not find
>> out 'mpi' path also.. Is there any other way to compile MPI and MKL
>> library?
>> Thanks in advance,
>> Kalyan
>>
>> On Mon, Jul 27, 2015 at 6:18 PM, Alfio Lazzaro <alfio.... at gmail.com>
>> wrote:
>>
>>> OK, then you don't have MPI installed on your system. Could you ask to
>>> your system administrator where are the MPI wrappers for compilation?
>>>
>>> Alfio
>>>
>>> 2015-07-27 14:43 GMT+02:00 Kalyanashis Jana <kalyan.... at gmail.com>:
>>>
>>>> Hello Alfio,
>>>>
>>>>
>>>> Is there any other command inside:
>>>>>
>>>>> /opt/sgi/mpt/mpt-2.01/bin/mpirun
>>>>>
>>>>> ?
>>>>>
>>>>
>>>>
>>>> Other command are:
>>>> mpiexec_mpt  mpiexec_my_mpt  mpirun  mpt_forward  omplace  rail-config
>>>>
>>>>
>>>> We are looking for mpif90...
>>>>>
>>>>
>>>> But 'mpif90' is not there...
>>>>
>>>>
>>>>
>>>>> What I can suggest to you is to get everything from CP2K installation
>>>>> by using the toolchain tool under
>>>>> tools/toolchain
>>>>>
>>>>> Just run the script install_cp2k_toolchain.sh.
>>>>> It will take a while and it will install everything in your area.
>>>>>
>>>> Sorry, but there is no install_cp2k_toolchain.sh file in the tools
>>>> directory. Even there is no "toolchain" directory
>>>> Available files in tools directory are
>>>> "addSynopsis.py           cp2kController           Fun2D
>>>>      make_reference.py        replacer.py
>>>> analyze_gfortran_ast.py  cp2k-wisdom              get_arch_code
>>>>    manual                   RestartTools
>>>> ASE                      cubecruncher             get_revision_number
>>>>    maple2f90.py             robo2doxy.py
>>>> autotune_grid            dbcsr_test               hfx_tools
>>>>    normalizeFortranFile.py  scriptmini
>>>> base64                   diffEpsilon.py           input_converter.py
>>>>     plot_mem_from_trace.py   svn2cl
>>>> build_libsmm             dist_mat.f90             input_editing
>>>>    prepare_ci.py            testUtils.py
>>>> buildUtils.py            do_replace_wp            input_parser.py
>>>>    prepareDoxy.py           trajana.f90
>>>> checkRet.py              f77_interface
>>>>  instantiateTemplates.py  prettify.py
>>>> clean_cwd.sh             find_bitrot_code.py      lowerPrecision.py
>>>>    QS
>>>> convert_to_dp.py         find_openmp_mistakes.py  makedepf90
>>>>     regtesting"
>>>>
>>>>
>>>> Thank you so much,
>>>> Kalyanashis Jana
>>>>
>>>
>>>
>>>
>>> --
>>> Alfio Lazzaro
>>> skype account: alfio.lazzaro
>>> email: alfio.... at gmail.com (per messaggi a cui prometto di
>>> rispondere in qualche giorno, ma rispondo! :) )
>>>
>>
>>
>>
>> --
>> Thanks with regards
>> Kalyanashis Jana
>>
>
>
>
> --
> Alfio Lazzaro
> skype account: alfio.lazzaro
> email: alfio.... at gmail.com (per messaggi a cui prometto di rispondere
> in qualche giorno, ma rispondo! :) )
>



-- 
Thanks with regards
Kalyanashis Jana
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