Re: [QE-users] Issue Compiling QE 7.3 on MacOS 14.4.1

2024-04-25 Thread Paolo Giannozzi

On 25/04/2024 21:41, Paolo Giannozzi wrote:

3. Check that __GPU is not set as a preprocessing variable 


"__CUDA", not "__GPU"

--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
AVAILABLE POSITION: 
https://physicslab.uniud.it/persone/paolo-giannozzi/prin2022

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Re: [QE-users] Issue Compiling QE 7.3 on MacOS 14.4.1

2024-04-25 Thread Paolo Giannozzi
1. Look at the line that performs the link, verify that libupf.a and 
libks.a follow libpw.a (they should)
2. Verify whether the missing symbols have been properly compiled. For 
instance: delete upflib/ylmr2_gpu.o, recompile, look carefully for any 
compilation error
3. Check that __GPU is not set as a preprocessing variable (none of the 
missing routine should do anything in your setting, they are stubs)


Paolo

On 25/04/2024 20:15, Robert Fleming via users wrote:
I have been a QE user since v7.1; I skipped v7.2 on my local machine, 
and am now trying to compile 7.3.  I’m running into a compilation error 
that I don’t quite know what to do about:


The configure script completes successfully with all expected compilers 
and libraries detected.  However, I’m getting an error for undefined 
symbols for the x86_64 architecture for ld (I’m using an Intel i9).


Any guidance on how to address this?

ld: warning: -commons use_dylibs is no longer supported, using error 
treatment instead


Undefined symbols for architecture x86_64:

   "_ccgdiagg_gpu_", referenced from:

       _diag_bands_ in libpw.a(c_bands.o)

   "_init_us_2_base_gpu_", referenced from:

       ___uspp_init_MOD_init_us_2 in libpw.a(init_us_2.o)

   "_pcegterg_gpu_", referenced from:

       _diag_bands_ in libpw.a(c_bands.o)

   "_ppcg_gamma_gpu_", referenced from:

       _diag_bands_ in libpw.a(c_bands.o)

   "_ppcg_k_gpu_", referenced from:

       _diag_bands_ in libpw.a(c_bands.o)

   "_pregterg_gpu_", referenced from:

       _diag_bands_ in libpw.a(c_bands.o)

   "_rcgdiagg_gpu_", referenced from:

       _diag_bands_ in libpw.a(c_bands.o)

   "_rotate_wfc_gamma_gpu_", referenced from:

       _rotate_wfc_gpu_ in libpw.a(rotate_wfc_gpu.o)

   "_rotate_wfc_k_gpu_", referenced from:

       _rotate_wfc_gpu_ in libpw.a(rotate_wfc_gpu.o)

   "_ylmr2_gpu_", referenced from:

       _atomic_wfc_gpu_ in libpw.a(atomic_wfc_gpu.o)

ld: symbol(s) not found for architecture x86_64

collect2: error: ld returned 1 exit status

make[2]: *** [pw.x] Error 1

make[1]: *** [pw] Error 1

make: *** [pw] Error 1



Robert “Drew” Fleming, Ph.D.
Assistant Professor of Mechanical Engineering
College of Engineering & Computer Science
Arkansas State University
(870) 972-3743
roflem...@astate.edu








___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
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users mailing list users@lists.quantum-espresso.org
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
AVAILABLE POSITION: 
https://physicslab.uniud.it/persone/paolo-giannozzi/prin2022

___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
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[QE-users] Issue Compiling QE 7.3 on MacOS 14.4.1

2024-04-25 Thread Robert Fleming via users
I have been a QE user since v7.1; I skipped v7.2 on my local machine, and am 
now trying to compile 7.3.  I’m running into a compilation error that I don’t 
quite know what to do about:

The configure script completes successfully with all expected compilers and 
libraries detected.  However, I’m getting an error for undefined symbols for 
the x86_64 architecture for ld (I’m using an Intel i9).

Any guidance on how to address this?


ld: warning: -commons use_dylibs is no longer supported, using error treatment 
instead

Undefined symbols for architecture x86_64:

  "_ccgdiagg_gpu_", referenced from:

  _diag_bands_ in libpw.a(c_bands.o)

  "_init_us_2_base_gpu_", referenced from:

  ___uspp_init_MOD_init_us_2 in libpw.a(init_us_2.o)

  "_pcegterg_gpu_", referenced from:

  _diag_bands_ in libpw.a(c_bands.o)

  "_ppcg_gamma_gpu_", referenced from:

  _diag_bands_ in libpw.a(c_bands.o)

  "_ppcg_k_gpu_", referenced from:

  _diag_bands_ in libpw.a(c_bands.o)

  "_pregterg_gpu_", referenced from:

  _diag_bands_ in libpw.a(c_bands.o)

  "_rcgdiagg_gpu_", referenced from:

  _diag_bands_ in libpw.a(c_bands.o)

  "_rotate_wfc_gamma_gpu_", referenced from:

  _rotate_wfc_gpu_ in libpw.a(rotate_wfc_gpu.o)

  "_rotate_wfc_k_gpu_", referenced from:

  _rotate_wfc_gpu_ in libpw.a(rotate_wfc_gpu.o)

  "_ylmr2_gpu_", referenced from:

  _atomic_wfc_gpu_ in libpw.a(atomic_wfc_gpu.o)

ld: symbol(s) not found for architecture x86_64

collect2: error: ld returned 1 exit status

make[2]: *** [pw.x] Error 1

make[1]: *** [pw] Error 1

make: *** [pw] Error 1


Robert “Drew” Fleming, Ph.D.
Assistant Professor of Mechanical Engineering
College of Engineering & Computer Science
Arkansas State University
(870) 972-3743
roflem...@astate.edu







___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users