Quantum espresso installation problem

In summary, the speaker is encountering an error while trying to install quantum espresso 6.1 on their cluster. They are able to successfully run the ./configure command, but when attempting to do "make all," they receive an error related to a pointer dummy argument and its associated dummy argument. The error code is 1 and the speaker is seeking assistance from the quantum espresso mailing list.
  • #1
Mohammad Rashid
1
0
Hi,
I am trying to install quantum quantum espresso 6.1 in our cluster. I can do the ./configure successfully. But after that when I try to do "make all" I am getting the following error:
fortcom: Error: realus.f90, line 377: A pointer dummy argument with the INTENT(IN) attribute shall not appear as an actual argumen t if the associated dummy argument has the INTENT(OUT) or INTENT(INOUT) attribute. [TABP]
CALL real_space_q( nt, ia, mbia, tabp )
------------------------------------------^
compilation aborted for realus.f90 (code 1)
make[2]: *** [realus.o] Error 1
make[2]: Leaving directory `/home/nanoSIUC/myruns/zunaid/qespresso6.1/qe-6.1/PW/src'
make[1]: *** [pw] Error 1
make[1]: Leaving directory `/home/nanoSIUC/myruns/zunaid/qespresso6.1/qe-6.1/PW'
make: *** [pw] Error 1

Can anyone help me to solve this problem of installation.
Thank You
Mohammad Rashid
 
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  • #2
It looks like there's a bad variable assignment of some kind. You should probably start by asking this question on the quantum espresso mailing list. They'll be best positioned to give you guidance.
 

1. What is Quantum espresso?

Quantum espresso is an open-source software package used for quantum simulations of materials at the nanoscale. It is commonly used in the field of computational materials science.

2. What is the purpose of installing Quantum espresso?

The installation of Quantum espresso allows researchers to perform quantum simulations on their own computers, rather than using expensive supercomputers. This allows for more flexibility and control over the simulations.

3. What are the system requirements for installing Quantum espresso?

Quantum espresso requires a UNIX-based operating system and several other software packages, such as Fortran and MPI, to be installed beforehand. It also requires a certain amount of memory and disk space.

4. How do I install Quantum espresso?

The installation process for Quantum espresso involves downloading the source code, configuring the software, compiling it, and then testing and installing it. Detailed instructions can be found on the Quantum espresso website.

5. What should I do if I encounter problems during the installation of Quantum espresso?

If you encounter any issues during the installation process, it is best to consult the Quantum espresso user manual or user forums for troubleshooting tips. You can also contact the developers for support or consider seeking assistance from a more experienced user.

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