Unable to link ELPA201705 : Intel(R) Xeon(R) CPU E5, intel 2017.4.196 compiler

ganta.pra... at gmail.com ganta.pra... at gmail.com
Wed May 2 13:45:55 UTC 2018


Dear Alfio Lazzaro,

Thanks a ton. I am trying to link ELPA for quite sometime and at last, it 
worked after making the above suggested changes. 

Once again thank you. Have a nice day.

Regards,
Prasanth,.

On Wednesday, May 2, 2018 at 2:37:08 PM UTC+2, Alfio Lazzaro wrote:
>
> Dear Prasanth,
> It is a linking problem between ELPA and LAPACK. Looking at your MKL 
> linking, I think there is something wrong: your linking both sequential and 
> threading.
> I used the MKL advisor (see 
> https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor ) 
> and I got the following line:
>
> ${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group 
> ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a 
> ${MKLROOT}/lib/intel64/libmkl_sequential.a 
> ${MKLROOT}/lib/intel64/libmkl_core.a 
> ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group 
> -lpthread -lm -ldl
>
> It can also be that you have to change the order of your library. Try to 
> put ELPA library (-L$(ELPA_DIR)/lib -lelpa_openmp) before MKL.
>
> Ciao!
>
> Alfio
>
>
> Il giorno mercoledì 2 maggio 2018 14:22:58 UTC+2, ganta.... at gmail.com 
> ha scritto:
>>
>> Dear CP2K team/users,
>>
>> I am trying to link ELPA 2017.05 version to CP2K 5.1 verison on Intel(R) 
>> Xeon(R) CPU E5-2640 v3 @ 2.60GHz. I am using intel 2017.4.196 compiler and 
>> MKL version. 
>>
>> I have installed CP2K 5.1 without ELPA and I am could run simulations 
>> without any issues. *But when I try to link elpa, I found following 
>> errors.* Please let me know how to proceed regarding this. I have 
>> attached arch file for your reference. 
>>
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o): 
>> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_complex_double_impl_': 
>> ipo_out.c:(.text+0x6636): undefined reference to `ztrtri_'                
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o): 
>> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_real_double_impl_':    
>> ipo_out.c:(.text+0xc116): undefined reference to `dtrtri_'                
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_compute_private.o): 
>> In function `elpa1_compute_mp_merge_systems_double_':                 
>> ipo_out.c:(.text+0x18c46): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x19855): undefined reference to `dlaed5_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x19885): undefined reference to `dlaed5_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x199f0): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x1af4a): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa2_compute.o): 
>> In function `elpa2_compute_mp_band_band_real_double_':                      
>>   
>> ipo_out.c:(.text+0x330a9): undefined reference to `dgeqrf_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x34133): undefined reference to `dgeqrf_'              
>>                                                                             
>>                                                          
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o): 
>> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_complex_double_impl_': 
>> ipo_out.c:(.text+0x6636): undefined reference to `ztrtri_'                
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o): 
>> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_real_double_impl_':    
>> ipo_out.c:(.text+0xc116): undefined reference to `dtrtri_'                
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_compute_private.o): 
>> In function `elpa1_compute_mp_merge_systems_double_':                 
>> ipo_out.c:(.text+0x18c46): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x19855): undefined reference to `dlaed5_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x19885): undefined reference to `dlaed5_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x199f0): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x1af4a): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa2_compute.o): 
>> In function `elpa2_compute_mp_band_band_real_double_':                      
>>   
>> ipo_out.c:(.text+0x330a9): undefined reference to `dgeqrf_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x34133): undefined reference to `dgeqrf_'              
>>                                                                             
>>                                                          
>> make[3]: *** 
>> [/users/pg163/share_cp2k/cp2k-5_1-branch/cp2k/exe/intel_mkl_blas_init_xsmm_xc_elpa/cp2k_shell.psmp] 
>> Error 1                                                                    
>>                   
>> make[3]: *** Waiting for unfinished jobs....                              
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o): 
>> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_complex_double_impl_': 
>> ipo_out.c:(.text+0x6636): undefined reference to `ztrtri_'                
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o): 
>> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_real_double_impl_':    
>> ipo_out.c:(.text+0xc116): undefined reference to `dtrtri_'                
>>                                                                             
>>                                                         
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_compute_private.o): 
>> In function `elpa1_compute_mp_merge_systems_double_':                 
>> ipo_out.c:(.text+0x18c46): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x19855): undefined reference to `dlaed5_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x19885): undefined reference to `dlaed5_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x199f0): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x1af4a): undefined reference to `dlamrg_'              
>>                                                                             
>>                                                          
>> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa2_compute.o): 
>> In function `elpa2_compute_mp_band_band_real_double_':                      
>>   
>> ipo_out.c:(.text+0x330a9): undefined reference to `dgeqrf_'              
>>                                                                             
>>                                                          
>> ipo_out.c:(.text+0x34133): undefined reference to `dgeqrf_'              
>>                                                                             
>>                                                          
>> make[3]: *** 
>> [/users/pg163/share_cp2k/cp2k-5_1-branch/cp2k/exe/intel_mkl_blas_init_xsmm_xc_elpa/cp2k.psmp] 
>> Error 1                                                                    
>>                         
>> make[3]: *** 
>> [/users/pg163/share_cp2k/cp2k-5_1-branch/cp2k/exe/intel_mkl_blas_init_xsmm_xc_elpa/libcp2k_unittest.psmp] 
>> Error 1                                                                    
>>             
>> make[2]: *** [all] Error 2                                                
>>                                                                             
>>                                                         
>> make[1]: *** [psmp] Error 2                                              
>>                                                                             
>>                                                          
>> make: *** [all] Error 2                                                  
>>           
>>
>>
>> Please let me know if you have any suggestions. 
>>
>> Thanks and Regards,
>> Prasanth. 
>>
>>
>>
>>
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