error in cp2k compilation

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DAR MANZOOR

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May 16, 2019, 1:56:56 PM5/16/19
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Dear All,

I am trying to compile cp2k-6.1 on an Ubuntu workstation, However, I am getting errors. I have attached the arch file which I am using and a screenshot of the error file. I will be grateful if anyone can help me in compiling the code. 


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Regards & best wishes
Dr. Manzoor A. Dar,
Assistant Professor,
Dept. of Chemistry,
IUST Awantipora.
Linux-x86-64-intel.popt
Error-file.png

Puneet Singh

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May 17, 2019, 2:20:22 AM5/17/19
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Hi,
Seems you are using relative path for LIBXMM (~/Manzoor/..)
Please use absolute path for XMM (Linux*popt) and retry compilation.

-
Puneet

DAR MANZOOR

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May 17, 2019, 2:28:07 AM5/17/19
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Dear Puneet,

Thanks for replying. What do you mean by relative path. I have installed the LIBXMM in the path mentioned in the arch file. What is meant by absolute path.

Regards,
Manzoor


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Tiziano Müller

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May 17, 2019, 7:54:51 AM5/17/19
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Dear Manzoor,

can you first verify that the folder

~/Manzoor/cp2ktools/libxsmm-1.10.0/include

contains the file libxsmm.mod ?

If it doesn't, then you may have to check the libxsmm build again and
make sure it generated the Fortran file.

Second, replace in your CP2K arch file the `~` by `/home/krati` (even
though I would assume it should work the way you specified it).

Best regards,
Tiziano
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Tiziano Müller
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