[CP2K:4252] Parallel cp2k installation trouble

Jana jahodov... at gmail.com
Mon Jan 21 17:06:48 CET 2013


Please, could you help me someone? I am still stuck with this last weeks 
error, tho i tried to get different versions of libraries and mpi and all 
links in ARCH seem to be fine, also no complaints in the output as far as I 
could notice, except the one that executable wasnt created (so there must 
be something wrong). The dflags and addresses i provided in arch should be 
in the right order and correct, i used atlas instead of blas+lapack (I 
listed all the libs in the lib directory)

In order to determine what's wrong I tried to compile serial version only 
with blas and lapack library but I got whole lot of stuff like that

TL_lauumU.c:(.text+0x124): undefined reference to `cblas_ztrmm'
/home/mathausj/atl_jm/lib/liblapack.a(ATL_clauumCL.o): In function 
`ATL_clauumCL':
ATL_lauumL.c:(.text+0xe1): undefined reference to `cblas_cherk'
ATL_lauumL.c:(.text+0x123): undefined reference to `cblas_ctrmm'
/home/mathausj/atl_jm/lib/liblapack.a(ATL_clauumCU.o): In function 
`ATL_clauumCU':
ATL_lauumU.c:(.text+0xe1): undefined reference to `cblas_cherk'
ATL_lauumU.c:(.text+0x123): undefined reference to `cblas_ctrmm'
/home/mathausj/atl_jm/lib/liblapack.a(ATL_clauumRL.o): In function 
`ATL_clauumRL':
ATL_lauumL.c:(.text+0xe1): undefined reference to `cblas_cherk'
ATL_lauumL.c:(.text+0x123): undefined reference to `cblas_ctrmm'
/home/mathausj/atl_jm/lib/liblapack.a(ATL_clauumRU.o): In function 
`ATL_clauumRU':
ATL_lauumU.c:(.text+0xe1): undefined reference to `cblas_cherk'
ATL_lauumU.c:(.text+0x123): undefined reference to `cblas_ctrmm'
/home/mathausj/atl_jm/lib/liblapack.a(dorm2l.o): In function `dorm2l_':
dorm2l.f:(.text+0x89): undefined reference to `lsame_'
dorm2l.f:(.text+0xab): undefined reference to `lsame_'
dorm2l.f:(.text+0xec): undefined reference to `lsame_'
dorm2l.f:(.text+0x124): undefined reference to `lsame_'
dorm2l.f:(.text+0x1e3): undefined reference to `xerbla_'



Please, I will be really grateful for anything, because I really don't have 
a clue what to do and it's been like that since last week. I am really 
sorry to bother you but I have no experience with this sort of work and 
neither does my superviser or anyone around at the department but i 
desperatly need paralellized software because gaussian is not able to 
perform the calculations i need for my thesis.


On Thursday, January 17, 2013 4:00:02 PM UTC+1, Jana wrote:
>
> Hi,
>
> Ok, thanks. I have ended up eith an error again though
> ifort: error #10236: File not found:  
> '/home/mathausj/cp2k-2.3/makefiles/../exe/Linux-x86-64-intel/cp2k.popt'
>
>
> On Thursday, January 17, 2013 3:42:50 PM UTC+1, Urban wrote:
>>
>> Hi, 
>>
>> You should edit your ARCH file to either explicitly include the paths to 
>> these libraries (i.e., -l/path/to/lib/libatlas.a) or set the variable to 
>> that path (whatever that variable is in the ARCH file you are using). 
>>
>> Best regards, 
>> Urban. 
>>
>> On Thu, 2013-01-17 at 06:24 -0800, Jana wrote: 
>> >  Hi, 
>> > I am trying to install parallel cp2k but I am having troubles with the 
>> > libraries needed 
>> > 
>> > According to the install instructions getting atlas with lapack and 
>> > scalapac should be enough to compile cp2k. 
>> > So I have installed it but I got the atlas libraries 
>> > 
>> > libatlas.a 
>> > libcblas.a 
>> > libf77blas.a 
>> > libf77refblas.a 
>> > liblapack.a 
>> > libptf77blas.a 
>> > libptlapack.a 
>> > libstalas.so 
>> > libtatlas.so 
>> > libstatlas.a 
>> > 
>> > 
>> > but Linux-x86-64-intel.popt apparently requires another libs 
>> > 
>> > ifort: error #10236: File not found:  '/libblacs_init.a' 
>> > ifort: error #10236: File not found:  '/libblacs.a' 
>> > ifort: error #10236: File not found:  '/libacml.a' 
>> > ifort: error #10236: File not found:  '/libacml_mv.a' 
>> > ifort: error #10236: File not found:  '/libfftw3.a' 
>> > 
>> > I am confused now, 
>> > please could anybody help me? 
>> > 
>> > Sorry for a stupid question I have virtually no experience in this 
>> > field... 
>> > 
>> > 
>> > 
>> > 
>> > 
>> > -- 
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>>
>>
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