Re: [QE-users] Compilation Issue

2023-03-24 Thread Paolo Giannozzi 

On 24/03/2023 03:00, Vinky Chow wrote:


Failed test in:
/home/student/qe-7.1-ReleasePack/qe-7.1/test-suite/pw_metaGGA/
make: *** [Makefile:60: run-tests-pw-serial] Error 1


meta-GGA is numerically noisy and unstable. If you do not need meta-GGA, 
no need to worry


Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
___
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

Re: [QE-users] Compilation Issue

2023-03-23 Thread Vinky Chow via users 
Hi Paolo,

I have managed to solve that issue. However, one of the tests failed when I
ran the tests.

All done. ERROR: only 233 out of 234 tests passed.
Failed test in:
/home/student/qe-7.1-ReleasePack/qe-7.1/test-suite/pw_metaGGA/
make: *** [Makefile:60: run-tests-pw-serial] Error 1

Do you have any ideas on how to solve this?
Thank you.

Regards,
Vinky


On Mon, 20 Mar 2023 at 23:30, Paolo Giannozzi 
wrote:

> It looks like you do not have the mpi libraries installed (or they are
> not compatible with your linker or compiler)
>
> Paolo
>
> On 3/20/23 10:06, Vinky Chow via users wrote:
> > Hi Dr Lorenzo,
> >
> > I was following the instructions here
> > <
> https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fpranabdas.github.io%2Fespresso%2Fsetup%2Finstall=05%7C01%7Cpaolo.giannozzi%40uniud.it%7C54674773c50f4f671bf708db2922856e%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C638149000469338426%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C=%2BC7XRua6C%2Fbrnxq9A7AKS9rrUq0I3tMM1nNG8CfHSmc%3D=0
> >.
> > The error appears during the make all command.
> > Thank you.
> >
> > Regards,
> > Vinky
> >
> >
> > On Mon, 20 Mar 2023 at 16:41, Lorenzo Paulatto  > > wrote:
> >
> >
> >
> >> /usr/bin/ld: cannot find -lmpi_usempif08
> >
> > Hello Vinky,
> >
> > normally you do not link fortran code with ld, but with the fortran
> > compiler itself, which should be the default unless you tamper with
> > the ./configure parameters. If you want more help, please provide
> > more detail about what you are doing (i.e.e every command you type
> > to arrive at the error and teh entire configure output)
> >
> >
> >> make[2]: Leaving directory
> >> '/home/student/qe-7.1-ReleasePack/qe-7.1/PW/src'
> >
> > At your institute, students do not have the right to a name?
> >
> > cheers
> >
> >
> >
> >> make[1]: *** [Makefile:9: pw] Error 1
> >> make[1]: Leaving directory
> >> '/home/student/qe-7.1-ReleasePack/qe-7.1/PW'
> >> make: *** [Makefile:71: pw] Error 1
> >>
> >> Could anyone help solving this?
> >> Thank you!
> >>
> >> Regards,
> >> Vinky
> >>
> >> ___
> >> 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  <
> https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.max-centre.eu%2F=05%7C01%7Cpaolo.giannozzi%40uniud.it%7C54674773c50f4f671bf708db2922856e%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C638149000469338426%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C=1ZjaINzZro8KYevizhSDv%2Fkz8nCCeITCjYXAWw6G8d4%3D=0
> >)
> >> users mailing listus...@lists.quantum-espresso.org   users@lists.quantum-espresso.org>
> >> https://lists.quantum-espresso.org/mailman/listinfo/users  <
> https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.quantum-espresso.org%2Fmailman%2Flistinfo%2Fusers=05%7C01%7Cpaolo.giannozzi%40uniud.it%7C54674773c50f4f671bf708db2922856e%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C638149000469338426%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C=5uD5wGnzeANFge0KmzVoFj%2B8BJOa0bWhrATfk%2Fi%2FSSk%3D=0
> >
> > --
> > 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://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.impmc.upmc.fr%2F~paulatto%2F=05%7C01%7Cpaolo.giannozzi%40uniud.it%7C54674773c50f4f671bf708db2922856e%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C638149000469338426%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C=1nBlSyvWVSy55%2Fq08tvsen0sczff4YAnOhR2zUNWOb8%3D=0>
> - https://anharmonic.github.io/ <
> https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fanharmonic.github.io%2F=05%7C01%7Cpaolo.giannozzi%40uniud.it%7C54674773c50f4f671bf708db2922856e%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C638149000469338426%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C=SIWV1HCNDWkmL78uH0QQqKGE5gk38jNfIvCdS0thcAs%3D=0
> >
> > 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

Re: [QE-users] Compilation Issue

2023-03-20 Thread Paolo Giannozzi 
It looks like you do not have the mpi libraries installed (or they are 
not compatible with your linker or compiler)


Paolo

On 3/20/23 10:06, Vinky Chow via users wrote:

Hi Dr Lorenzo,

I was following the instructions here 
.

The error appears during the make all command.
Thank you.

Regards,
Vinky


On Mon, 20 Mar 2023 at 16:41, Lorenzo Paulatto > wrote:





/usr/bin/ld: cannot find -lmpi_usempif08


Hello Vinky,

normally you do not link fortran code with ld, but with the fortran
compiler itself, which should be the default unless you tamper with
the ./configure parameters. If you want more help, please provide
more detail about what you are doing (i.e.e every command you type
to arrive at the error and teh entire configure output)



make[2]: Leaving directory
'/home/student/qe-7.1-ReleasePack/qe-7.1/PW/src'


At your institute, students do not have the right to a name?

cheers




make[1]: *** [Makefile:9: pw] Error 1
make[1]: Leaving directory
'/home/student/qe-7.1-ReleasePack/qe-7.1/PW'
make: *** [Makefile:71: pw] Error 1

Could anyone help solving this?
Thank you!

Regards,
Vinky

___
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 listus...@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

Re: [QE-users] Compilation Issue

2023-03-20 Thread Vinky Chow via users 
Hi Dr Lorenzo,

I was following the instructions here
.
The error appears during the make all command.
Thank you.

Regards,
Vinky


On Mon, 20 Mar 2023 at 16:41, Lorenzo Paulatto 
wrote:

>
>
> /usr/bin/ld: cannot find -lmpi_usempif08
>
> Hello Vinky,
>
> normally you do not link fortran code with ld, but with the fortran
> compiler itself, which should be the default unless you tamper with the
> ./configure parameters. If you want more help, please provide more detail
> about what you are doing (i.e.e every command you type to arrive at the
> error and teh entire configure output)
>
> make[2]: Leaving directory '/home/student/qe-7.1-ReleasePack/qe-7.1/PW/src'
>
> At your institute, students do not have the right to a name?
>
> cheers
>
>
>
> make[1]: *** [Makefile:9: pw] Error 1
> make[1]: Leaving directory '/home/student/qe-7.1-ReleasePack/qe-7.1/PW'
> make: *** [Makefile:71: pw] Error 1
>
> Could anyone help solving this?
> Thank you!
>
> Regards,
> Vinky
>
> ___
> 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.orghttps://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@lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
___
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

Re: [QE-users] Compilation Issue

2023-03-20 Thread Lorenzo Paulatto 




/usr/bin/ld: cannot find -lmpi_usempif08


Hello Vinky,

normally you do not link fortran code with ld, but with the fortran 
compiler itself, which should be the default unless you tamper with the 
./configure parameters. If you want more help, please provide more 
detail about what you are doing (i.e.e every command you type to arrive 
at the error and teh entire configure output)



make[2]: Leaving directory 
'/home/student/qe-7.1-ReleasePack/qe-7.1/PW/src'


At your institute, students do not have the right to a name?

cheers




make[1]: *** [Makefile:9: pw] Error 1
make[1]: Leaving directory '/home/student/qe-7.1-ReleasePack/qe-7.1/PW'
make: *** [Makefile:71: pw] Error 1

Could anyone help solving this?
Thank you!

Regards,
Vinky

___
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 listus...@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@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users