Toolchains - Revision history

Hampel at 16:06, 17 March 2026

2026-03-17T16:06:15Z

@@ Line 8: / Line 8: @@
 ** Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0 .<ref name="gcc-beyond-7-support"/>
 ** Compilation with GCC > 14.2.X is currently (as of VASP.6.5.1) not possible since it dropped legacy code support in C and Fortran formatted strings. This can be worked around by adding the compiler flag <code>-std=legacy</code>
 == VASP.6.5.1 ==

Wolloch at 08:31, 16 March 2026

2026-03-16T08:31:09Z

← Older revision		Revision as of 08:31, 16 March 2026
Line 392:		Line 392:
	[[Precompiler options]],		[[Precompiler options]],
	[[Linking to libraries]],		[[Linking to libraries]],
	[[~~OpenACC~~ GPU ~~port~~ of VASP]],		[[GPU ports of VASP]],
	[[Validation tests]],		[[Validation tests]],
	[[Known issues]],		[[Known issues]],

Hampel: /* VASP.6.5.0 */

2025-12-10T09:44:49Z

VASP.6.5.0

← Older revision		Revision as of 09:44, 10 December 2025
Line 9:		Line 9:
	** Compilation with GCC > 14.2.X is currently (as of VASP.6.5.1) not possible since it dropped legacy code support in C and Fortran formatted strings. This can be worked around by adding the compiler flag <code>-std=legacy</code>		** Compilation with GCC > 14.2.X is currently (as of VASP.6.5.1) not possible since it dropped legacy code support in C and Fortran formatted strings. This can be worked around by adding the compiler flag <code>-std=legacy</code>

	== VASP.6.5.0 ==		== VASP.6.5.1 ==
	{\| class="wikitable" style="text-align: center;		{\| class="wikitable" style="text-align: center;
	\|-		\|-

Huebsch at 09:55, 14 November 2025

2025-11-14T09:55:13Z

← Older revision		Revision as of 09:55, 14 November 2025
Line 7:		Line 7:
	* Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. This happens when compilers became more strict and do not accept certain code constructs used in older VASP versions. Here are a few known examples:		* Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. This happens when compilers became more strict and do not accept certain code constructs used in older VASP versions. Here are a few known examples:
	** Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0 .<ref name="gcc-beyond-7-support"/>		** Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0 .<ref name="gcc-beyond-7-support"/>
	** Compilation with GCC > 14.2.X is currently (as of VASP.6.5.1) not possible ~~due to changes due to~~ dropped legacy code support in C and Fortran formatted strings. This can be worked around by adding the compiler flag <code>-std=legacy</code>		** Compilation with GCC > 14.2.X is currently (as of VASP.6.5.1) not possible since it dropped legacy code support in C and Fortran formatted strings. This can be worked around by adding the compiler flag <code>-std=legacy</code>

	== VASP.6.5.0 ==		== VASP.6.5.0 ==

Hampel at 09:53, 14 November 2025

2025-11-14T09:53:39Z

← Older revision		Revision as of 09:53, 14 November 2025
Line 7:		Line 7:
	* Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. This happens when compilers became more strict and do not accept certain code constructs used in older VASP versions. Here are a few known examples:		* Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. This happens when compilers became more strict and do not accept certain code constructs used in older VASP versions. Here are a few known examples:
	** Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0 .<ref name="gcc-beyond-7-support"/>		** Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0 .<ref name="gcc-beyond-7-support"/>
	** Compilation with GCC > 15.X.X is currently (as of VASP.6.5.1) not possible due to changes due to dropped legacy code support in C and Fortran formatted strings.		** Compilation with GCC > 14.2.X is currently (as of VASP.6.5.1) not possible due to changes due to dropped legacy code support in C and Fortran formatted strings. This can be worked around by adding the compiler flag <code>-std=legacy</code>

	== VASP.6.5.0 ==		== VASP.6.5.0 ==

Hampel at 13:35, 10 June 2025

2025-06-10T13:35:52Z

← Older revision		Revision as of 13:35, 10 June 2025
Line 5:		Line 5:
	{{NB\|tip\|We encourage using up-to-date versions of compilers and libraries since they are continuously improved and bugs are identified and fixed.\|:}}		{{NB\|tip\|We encourage using up-to-date versions of compilers and libraries since they are continuously improved and bugs are identified and fixed.\|:}}

	* Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. ~~Example~~: Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0~~. That is because the GCC compilers became more strict and do not accept certain code constructs used in older VASP versions~~.<ref name="gcc-beyond-7-support"/>		* Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. This happens when compilers became more strict and do not accept certain code constructs used in older VASP versions. Here are a few known examples:
			** Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0 .<ref name="gcc-beyond-7-support"/>
			** Compilation with GCC > 15.X.X is currently (as of VASP.6.5.1) not possible due to changes due to dropped legacy code support in C and Fortran formatted strings.

	== VASP.6.5.0 ==		== VASP.6.5.0 ==

Singraber: /* VASP.6.4.3 */

2025-03-07T10:27:24Z

VASP.6.4.3

← Older revision		Revision as of 10:27, 7 March 2025
Line 133:		Line 133:
	\| -		\| -
	\|-		\|-
	\| nvhpc-24.1<br />(OpenACC)		\| nvhpc-23.7<br />(OpenACC)
	\| openmpi-4.1.6</br />(CUDA-aware)		\| openmpi-4.1.6</br />(CUDA-aware)
	\| colspan="3" \| intel-oneapi-mkl-2023.2.0		\| colspan="3" \| intel-oneapi-mkl-2023.2.0

Singraber: /* VASP.6.5.0 */

2025-03-07T10:23:57Z

VASP.6.5.0

← Older revision		Revision as of 10:23, 7 March 2025
Line 41:		Line 41:
	\| -		\| -
	\| hdf5-1.13.0		\| hdf5-1.13.0
	\| wannier90-3.1.0<br />libxc-5.2.3		\| wannier90-3.1.0<br />libxc-5.2.2
	\| Rocky Linux 8.8		\| Rocky Linux 8.8
	\| -		\| -
	\|-		\|-
	\| gcc-11.3.0		\| gcc-11.2.0
	\| openmpi-4.1.2		\| openmpi-4.1.2
	\| amdfftw/3.1		\| amdfftw/3.1
Line 80:		Line 80:
	\|-		\|-
	\| style="background-color:#f5d9da;" \| aocc-4.0.0		\| style="background-color:#f5d9da;" \| aocc-4.0.0
	\| openmpi-4.1.4		\| openmpi-4.1.3
	\| amdfftw-4.0		\| amdfftw-4.0
	\| amdblis-4.0		\| amdblis-4.0
Line 103:		Line 103:
	\| VASP >= 6.3.0<ref name="nec-aurora-support"/>		\| VASP >= 6.3.0<ref name="nec-aurora-support"/>
	\|}		\|}


	== VASP.6.4.3 ==		== VASP.6.4.3 ==

Hampel at 09:08, 7 March 2025

2025-03-07T09:08:54Z

← Older revision		Revision as of 09:08, 7 March 2025
Line 77:		Line 77:
	\| wannier90-3.1.0		\| wannier90-3.1.0
	\| Rock Linux 8.8<br />NVIDIA GPUs<br />(A30)		\| Rock Linux 8.8<br />NVIDIA GPUs<br />(A30)
	\| <span style=background:#f5d9da>[[Known_issues#KnownIssue32\|not working with py plugins]]</span>		\| <span style=background:#f5d9da>[[Known_issues#KnownIssue32\|not working with python plugins]]</span>
	\|-		\|-
	\| style="background-color:#f5d9da;" \| aocc-4.0.0		\| style="background-color:#f5d9da;" \| aocc-4.0.0

Hampel at 09:07, 7 March 2025

2025-03-07T09:07:06Z

@@ Line 6: / Line 6: @@
 * Also for older versions of VASP, we recommend using up-to-date versions of compilers and libraries. In most cases, this will not be a problem. Except in some cases, VASP code was adjusted, e.g., to accommodate changes in the behavior of a compiler. Example: Compilation with GCC > 7.X.X is only possible as of VASP.6.2.0. That is because the GCC compilers became more strict and do not accept certain code constructs used in older VASP versions.<ref name="gcc-beyond-7-support"/>
 == VASP.6.4.3 ==
@@ Line 22: / Line 120: @@
 ! Known issues
 |-
-| intel-oneapi-compilers-2024.0.2 || intel-oneapi-mpi-2021.10.0 || colspan="4" | intel-oneapi-mkl-2023.2.0 || - || hdf5-1.14.0 || wannier90-3.1.0<br />libxc-5.2.3
+| intel-oneapi-compilers-2024.0.2
 | Rocky Linux 8.8
 | -