Hi people,
I have problem when I compiling:
- VASP 6.4.2 (same as 6.3.x) over:
- Platform: Dell PowerEdge R650xs+2xIntel Xeon Gold 6336Y (48cores total)+RAM ECC 256GB
- OS: Ubuntu server edition 22.04.3
- kernel: 5.15.0-88-generic
- libc6: 2.35-0ubuntu3.4
- OS compiler: gcc version 11.4.0 (Ubuntu 11.4.0-1ubuntu1~22.04)
- Compiler used: Intel cluster studio xe 2020.4.912 + impi (mpicc,mpif90,mpif77,...)+ mkl (blas5, lapack95, fft3w, scalapack_ilp64)
- makefile: makefile.include.intel
Compilation command:
make DEPS=1 -j40 std
ERROR:
...
mpiifort -O1 -free -names lowercase -c -o preclib.o preclib.f90
In file included from /usr/include/c++/11/cwchar(44),
from /usr/include/c++/11/bits/postypes.h(40),
from /usr/include/c++/11/iosfwd(40),
from /usr/include/c++/11/ios(38),
from /usr/include/c++/11/ostream(38),
from /usr/include/c++/11/iostream(39),
from sites.cpp(2):
/usr/include/wchar.h(155): error: attribute "__malloc__" does not take arguments
__attribute_malloc__ __attr_dealloc_free;
...
I have include make.log and makefile.include used files.
Any comment will be welcomed?
Compiling VASP 6.4.2 problem
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Compiling VASP 6.4.2 problem
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- Newbie
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Re: Compiling VASP 6.4.2 problem
I have found the problem,
is the libc6 2.35 that comes in Ubuntu 22.04. There are functions with additional parameters not supported in compilation of VASP yet.
All works fine in Ubuntu 20.04 with libc 2.31-0ubuntu9.12
Regards.
is the libc6 2.35 that comes in Ubuntu 22.04. There are functions with additional parameters not supported in compilation of VASP yet.
All works fine in Ubuntu 20.04 with libc 2.31-0ubuntu9.12
Regards.
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- Full Member
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- Joined: Tue Jan 19, 2021 12:01 am
Re: Compiling VASP 6.4.2 problem
Great, thank you for sharing this here! And sorry we were not of any help in the progress. Fortunately, you found the solution relatively quick.
Kind regards, Marie-Therese
Kind regards, Marie-Therese
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Re: Compiling VASP 6.4.2 problem
I've successfully compiled vasp.6.4.2 on Ubuntu 22.04.3 LTS with the following environments and all tests passed, as shown below:
The testsuite.log is also attached, just FYI. Therefore, I think the issues reported here may not be related to the libc6 and vasp itself.
Regards,
Zhao
Code: Select all
$ lsb_release -a
No LSB modules are available.
Distributor ID: Ubuntu
Description: Ubuntu 22.04.3 LTS
Release: 22.04
Codename: jammy
$ module list
Currently Loaded Modules:
1) oneapi/2023.2.0 2) hdf5/1.14.3-oneapi.2023.2.0 3) wannier90/develop-serial-oneapi.2023.2.0
$ dpkg -l libc6
Desired=Unknown/Install/Remove/Purge/Hold
| Status=Not/Inst/Conf-files/Unpacked/halF-conf/Half-inst/trig-aWait/Trig-pend
|/ Err?=(none)/Reinst-required (Status,Err: uppercase=bad)
||/ Name Version Architecture Description
+++-==============-===============-============-=================================
ii libc6:amd64 2.35-0ubuntu3.4 amd64 GNU C Library: Shared libraries
ii libc6:i386 2.35-0ubuntu3.4 i386 GNU C Library: Shared libraries
$ ldd bin/vasp_std | grep libc
libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00001547af000000)
$ ldd bin/vasp_ncl | grep libc
libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x000014e6db800000)
$ ldd bin/vasp_gam | grep libc
libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x000014571dc00000)
$ apt-file search -x /lib/x86_64-linux-gnu/libc.so.6$
libc6: /lib/x86_64-linux-gnu/libc.so.6
Regards,
Zhao
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