[CP2K:4257] Parallel cp2k installation trouble

Jana jahodov... at gmail.com
Tue Jan 22 10:10:57 CET 2013


Hi Jörg,

libcblas.a is on the list, and I don't have .so version. What version of 
ATLAS are you using? I have 3.10.1 which was listed as the newest release.



On Monday, January 21, 2013 6:12:05 PM UTC+1, sassy wrote:
>
> Dear Jana, 
>
> unless I am mistaken you forgot to link with the libcblas.a as well (or 
> libcblas.so so you got it). 
> With the more recent ATLAS installations, you can get one fat library 
> which 
> contains all you need: libsatlas.so 
> I am using that way as it appears to be more forward. 
>
> I hope that helps a bit. 
>
> Regards 
>
> Jörg 
>
> On Monday 21 January 2013 16:06:48 Jana wrote: 
> > 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... 
>
> -- 
> ************************************************************* 
> Jörg Saßmannshausen 
> University College London 
> Department of Chemistry 
> Gordon Street 
> London 
> WC1H 0AJ 
>
> email: j.sas... at ucl.ac.uk <javascript:> 
> web: http://sassy.formativ.net 
>
> Please avoid sending me Word or PowerPoint attachments. 
> See http://www.gnu.org/philosophy/no-word-attachments.html 
>
>
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