[QE-users] Compile QE 6.8

[Paolo Giannozzi]

On 11/16/22 15:07, Lorenzo Paulatto wrote:

> I would guess that your ifort installation is not configured correctly. 

actually, it's the MKL library that is not correctly configured 
(ScaLAPACK is part of MKL): there is one script for the compiler and one 
for the libraries

Paolo


> Tipcally as part of the ifort installation you get a script called 
> setvars.sh or someting similar, it depends on the version. Run it like
> 
> source /path/to/setvars.sh
> 
> (or variabt depending on teh version) and you should be fine.
> 
> On 16/11/2022 14:59, Riccardo Piombo uniroma1 via users wrote:
> 
>> Dear comunity,
>>
>> I'm trying to compile QE on ubuntu 18.04. I have followed the 
>> instructions written in the documentation and I have successfully 
>> compiled the software without any errors.
>>
>> However, as soon as I try to launch any type of job the following 
>> error shows up:
>>
>> /error while loading shared libraries: libmkl_scalapack_lp64.so: 
>> cannot open shared object file: No such file or directory/
>>
>> It is very strange that such an error appears as ./configure did not 
>> report any errors.
>>
>>
>> Could someone help me out?
>>
>> Thanks in advance for your help.
>>
>>
>> Riccardo Piombo
>>
>> Post doc researcher in Condensed Matter Physics at Sapienza University 
>> of Rome
>>
>>
>> _______________________________________________
>> 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 listusers at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
> -- 
> Dr. Lorenzo Paulatto
> IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université
> phone: +33 (0)1 442 79822 / skype: paulatz
> http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/
> 23-24/423 B115, 4 place Jussieu 75252 Paris CX 05
> 
> _______________________________________________
> 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 at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222