[Pw_forum] some questions about compiling espresso3.2

[Stefano Baroni]

signature? affiliation? thanks - Stefano

On May 23, 2007, at 4:57 PM, Chaohao Hu wrote:

> Dear Pwscf users,
>
> I want to compile epsresso3.2 on my system using the intel90  
> compiler mkl80 lib, I run into some problems. Some error  
> informations as following always appear. But I can compile it in my  
> notepad using the intel90 compiler. Why?
>
> If I use the make.sys configured automatically by machine, in which  
> the g95 fortran compiler is used and the option "-ftrace=frame" is  
> only added, I can compile it successfully. But When running some  
> examples involving in the phonon calculations like example02, the  
> Traceback information appears!!! How to solve these problems? Here,  
> I attach my make.sys files.
>
> In addition, When can the the module of the noncollinear + GGA (not  
> LDA) be implemented in the espresso packages?
>
> =================intel90+mkl80==============================
>
> : undefined reference to `create_plan_1d_'
>
> ../Modules/fft_scalar.o(.text+0xf3a): more undefined references to  
> `create_plan_1d_' follow
>
> ../Modules/fft_scalar.o(.text+0x10b4): In function  
> `fft_scalar_mp_cft_b_':
>
> : undefined reference to `fftw_inplace_drv_1d_'
>
> ../Modules/fft_scalar.o(.text+0x10ef): In function  
> `fft_scalar_mp_cft_b_':
>
> : undefined reference to `fftw_inplace_drv_2d_'
>
> ../Modules/fft_scalar.o(.text+0x1127): In function  
> `fft_scalar_mp_cft_b_':
>
> : undefined reference to `destroy_plan_1d_'
>
> ../Modules/fft_scalar.o(.text+0x113e): In function  
> `fft_scalar_mp_cft_b_':
>
> : undefined reference to `create_plan_1d_'
>
> ../Modules/fft_scalar.o(.text+0x1153): In function  
> `fft_scalar_mp_cft_b_':
>
> : undefined reference to `destroy_plan_2d_'
>
> ../Modules/fft_scalar.o(.text+0x1169): In function  
> `fft_scalar_mp_cft_b_':
>
> : undefined reference to `create_plan_2d_'
>
> ../Modules/xml_io_base.o(.text+0x1309): In function  
> `xml_io_base_mp_create_directory_.':
>
> : undefined reference to `c_mkdir_'
>
> libpw.a(input.o)(.text+0x6550): In function `verify_tmpdir_.':
>
> : undefined reference to `c_mkdir_'
>
> make[1]: *** [pw.x] Error 1
>
> =======================g95==================================
>
> cleaning *******************/tmp... done
>
> running the scf calculation... done
>
> running the phonon calculation at Gamma... done
>
> running the nscf calculation at X... done
>
> running the phonon calculation at X... done
>
> running the nscf calculation at X for a single mode... done
>
> running the phonon calculation at X for a single mode...At line 47  
> of file stop_ph.f90
>
> Traceback: (Innermost first)
>
> Called from line 0 of file ./run_example: line 245: 32630  
> Segmentation fault $PH_COMMAND <si.phXsingle.in >si.phXsingle.out
>
> done
>
> cleaning *****************/tmp... done
>
> running the scf calculation for C... done
>
> running the phonon calculation at Gamma... done
>
> running the scf calculation for Ni... done
>
> running the non-scf calculation for phonon at X of Ni... done
>
> running the phonon calculation at X... done
>
>
>
>
> <make.sys_intel90>
> <make.sys_g95>

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



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