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g16 Plat

This document provides information on available binary and source code versions of Gaussian 16. It lists the processor, operating system support, and required libraries and drivers for each version. Key details include support for NVIDIA GPUs with CUDA 10.0/11.2, requiring Linda 9.2 for network parallel, and source code can be built to support the same GPUs as the binaries. The document was last updated on 20 April 2023.

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0% found this document useful (0 votes)
72 views3 pages

g16 Plat

This document provides information on available binary and source code versions of Gaussian 16. It lists the processor, operating system support, and required libraries and drivers for each version. Key details include support for NVIDIA GPUs with CUDA 10.0/11.2, requiring Linda 9.2 for network parallel, and source code can be built to support the same GPUs as the binaries. The document was last updated on 20 April 2023.

Uploaded by

johnpatt888
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Last updated 20 April 2023. The most recent version of the document can be found on our website at www.gaussian.com/g16/g16_plat.pdf.

Gaussian 16 Available Binary Versions for Rev. C.01 and C.02


Important Notes for All Gaussian Binary Versions:
• Beginning with Revision C.01, Linda 9.2 is required for network parallel use of Gaussian 16. Earlier versions of Linda are
incompatible. Thus, upgrading from Gaussian 16 Rev. A.03 or B.01 w/Linda to G16 Rev. C.01 or C.02 w/Linda or G16 Rev.
C.02 w/Linda requires an update to Linda 9.2.
• The Linux RedHat and SuSE versions specified for x86_64, IA32, and IBM Power systems refer only to the unmodified,
unpatched original media/ISO image distributions as released by the vendor.
Revision C.01 x86_64 AVX-enabled Binary Version:
• The AMD/Intel x86_64 AVX-enabled binary version includes GPU support for NVIDIA K40, K80, P100, and V100 boards
with 12 GB of memory or higher. A version of NVIDIA drivers compatible with CUDA 10.0 is required to run on these GPUs
with this binary version. (NVIDIA drivers can be found at www.nvidia.com/download/index.aspx).
REVISION C.01
Vendor CPU Shared Memory Parallel Linda Parallel OS Version(s) Required Libraries & Drivers
AMD/Intel x86_64 (“Legacy” – Y Y openSUSE Linux 10.3, 11.4, 12.3, 13.2,
pre-SSE4.2) Leap 42.3, 15.0; SUSE Linux Enterprise
Server 11 SP4, 12 SP4, 15; Red Hat
Enterprise Linux 5.11, 6.10, 7.6
AMD/Intel x86_64 (SSE4.2-enabled) Y Y openSUSE Linux 11.4, 12.3, 13.2, Leap
42.3, 15.0; SUSE Linux Enterprise Server
11 SP4, 12 SP4, 15; Red Hat Enterprise
Linux 5.11, 6.10, 7.6
AMD/Intel x86_64 (AVX-enabled) Y Y openSUSE Linux 13.2, Leap 42.3, 15.0; Drivers compatible with NVIDIA CUDA
SUSE Linux Enterprise Server 11 SP4, 12 10.0
SP4, 15; Red Hat Enterprise Linux 5.11,
6.10, 7.6, 8.3
AMD Athlon and Intel IA32 (Pentium IV and Y Y SuSE Linux 10.3, 11.4; Red Hat Enterprise
IA32-based systems higher); AMD Athlon Linux 5.6, 6.1
Apple EM64T (64-bit Intel Mac) Y Y OS X 10.6.8, 10.7.5, 10.8.5, 10.9.5, 10.10.5,
10.11.6, 10.12.6, 10.13.6, 10.14.5
IBM Power 5 (64-bit) Y Y AIX 5.3
IBM Power 7 (64-bit) Y Y AIX 6.1, 7.1 xlsmp.rte 3.1.0.3
IBM Power 7 (64-bit) Y Y SuSE Enterprise Linux 11 SP2; Red Hat xlsmp.rte 4.1.0.2
Enterprise Linux 6.3 (big endian)
IBM Power 8 (64-bit) Y Y AIX 7.2 xlsmp 4.1.3.0
IBM Power 8 (64-bit) Y Y RedHat Enterprise Linux 7.3 (big endian) xlsmp 4.1.0.2
IBM Power 8 (64-bit) Y Y RedHat Enterprise Linux 7.3 (little endian) xlsmp 4.1.3.0
IBM Power 9 (64-bit) Y Y RedHat Enterprise Linux 7.6 (little endian) xlsmp 5.1.1.0

Revision C.02 x86_64 AVX2-enabled Binary Version:


• Revision C.02 is an update to support the NVIDIA A100 (Ampere) GPUs. It is available for the AMD/Intel x86_64 AVX2-
enabled platform only, which also supports NVIDIA K40, K80, P100, V100 and A100 GPUs with 12 GB of memory or higher.
A version of NVIDIA drivers compatible with CUDA Toolkit 11.2 is required to run the Revision C.02 binaries on these GPUs
(NVIDIA drivers can be found at www.nvidia.com/download/index.aspx).
Revision C.02 Apple M1/M2 Binary Version:
• Revision C.02 adds support for the Apple M1/M2 processors. Builds from source code are not supported.
REVISION C.02
Vendor CPU Shared Memory Parallel Linda Parallel OS Version(s) Required Libraries & Drivers
AMD/Intel x86_64 (AVX2-enabled) Y Y openSUSE Leap 42.3, 15.x; SUSE Linux Compatible with NVIDIA CUDA 11.2
Enterprise Server 12 SP4, 15; Red Hat
Enterprise Linux 8.3

Apple M1/M2 Y N macOS 12.3-13.3.1


Fujitsu ARM A64FX (FX700, Y N Red Hat Enterprise Linux 8.4 FX700 - FUJITSU Software Compiler
FX1000) Package V1.0L21 (cp-1.0.21.02)
FX1000 - FUJITSU Software Technical
Computing Suite V4.0L20 (tcsds-1.2.36)
Last updated 20 April 2023. The most recent version of the document can be found on our website at www.gaussian.com/g16/g16_plat.pdf.

Gaussian 16 Available Source Code Versions for Rev. C.01


FOR REVISION C.02, SEE THE NEXT PAGE

Important Notes for Gaussian 16 Revision C.01 Source Code:

• Binaries for platforms marked with † can be built with GPU support for NVIDIA K40, K80, P100, and V100 boards with 12
GB of memory or higher. NVIDIA A100 GPUs require Gaussian 16 Revision C.02. A version of NVIDIA drivers compatible
with CUDA 10.0 is required to run binaries built with Revision C.01 source code on these GPUs (NVIDIA drivers can be found
at www.nvidia.com/download/index.aspx).
• Linda 9.2 is required for network parallel use of Gaussian 16 Revision C.01. Earlier versions of Linda are incompatible. Thus,
upgrading from Gaussian 16 Rev. A.03 or B.01 w/Linda to G16 Rev. C.01 w/Linda requires an update to Linda 9.2.
• In order to build on Intel-based Macintosh computers, the source code and tools must be installed on an HFS+ case-sensitive
file system (or a UFS file system for systems where that is supported).
• The Linux RedHat and SuSE versions specified for x86_64, IA32, and IBM Power systems refer only to the unmodified,
unpatched original media/ISO image distributions as released by the vendor.

Vendor CPU Shared Linda OS Version(s) Fortran C Libraries & Drivers


Memory Parallel
Parallel
AMD/Intel x86_64 Y Y openSUSE Linux 10.3, 11.4, 12.3, 13.2, Portland Group F77 17.7 gcc included with Atlas (included on G16 CD)
(“Legacy” – Leap 42.3; SUSE Linux Enterprise www.pgroup.com Linux
pre-SSE4.2) Server 11 SP4, 12 SP4; Red Hat
Enterprise Linux 5.11, 6.10, 7.6
AMD/Intel x86_64 (SSE4.2- Y Y openSUSE Linux 11.4, 12.3, 13.2, Leap Portland Group F77 17.7 gcc included with Atlas (included on G16 CD)
enabled) 42.3; SuSE Linux Enterprise Server 11 www.pgroup.com Linux
SP4, 12 SP4; Red Hat Enterprise Linux
5.11, 6.10, 7.6
AMD/Intel x86_64 (AVX- Y Y openSUSE Linux 13.2, Leap 42.3; SuSE Portland Group F77 18.10 gcc included with Atlas (included on G16 CD);
enabled) † Linux Enterprise Server 11 SP4, 12 SP4; www.pgroup.com Linux drivers compatible with
Red Hat Enterprise Linux 6.10, 7.6 NVIDIA CUDA 10.0
AMD/Intel x86_64 (AVX2- Y Y openSUSE Linux 13.2, Leap 42.3; SuSE Portland Group F77 18.10 gcc included with Atlas (included on G16 CD);
enabled) † Linux Enterprise Server 11 SP4, 12 SP4; www.pgroup.com Linux drivers compatible with
Red Hat Enterprise Linux 6.10, 7.6 NVIDIA CUDA 10.0
AMD Athlon & IA32 (Pentium Y Y SuSE Linux 10.3, 11.4; Red Hat Portland Group F77 16.5 gcc included with Atlas (included on G16 CD)
Intel IA32-based IV and higher); Enterprise Linux 5.6, 6.1 www.pgroup.com Linux
systems AMD Athlon
Apple EM64T (64-bit Y Y OS X 10.9.5, 10.10.5, 10.11.6, 10.12.6, Portland Group F77 18.10 XCode Atlas (included on G16 CD)
Intel Mac) 10.13.6 www.pgroup.com corresponding to
OS X version
IBM Power 7 (64-bit) Y Y AIX 6.1, 7.1 XLF 13.1.0.12 XLC 11.1.0.12 xlsmp 3.1.0.3; Atlas (included
on G16 CD)
IBM Power 7 (64-bit) Y Y SuSE Enterprise Linux 11 SP2; Red Hat XLF 13.1.0.7 XLC 11.1.0.7 xlsmp 2.1.0.7; Atlas (included
Enterprise Linux 6.3 on G16 CD)
IBM Power 8 (64-bit) Y Y AIX 7.2 XLF 15.1.3.4 XLC 13.1.3.4 xlsmp 4.1.3.0; Atlas (included
on G16 CD)
IBM Power 8 (64-bit) Y Y RedHat Enterprise Linux 7.3 (big XLF 15.1.0.2 XLC 13.1.0.2 xlsmp 4.1.0.2; Atlas (included
endian) on G16 CD)
IBM Power 8 (64-bit) Y Y RedHat Enterprise Linux 7.3 (little XLF 15.1.3.0 XLC 13.1.3.0 xlsmp 4.1.3.0; Atlas (included
endian) on G16 CD)
IBM Power 9 (64-bit) Y Y RedHat Enterprise Linux 7.6 (little XLF 16.1.1.0 XLC 16.1.1.0 xlsmp 5.1.1.0; Atlas (included
endian) on G16 CD)
Last updated 20 April 2023. The most recent version of the document can be found on our website at www.gaussian.com/g16/g16_plat.pdf.

Gaussian 16 Available Source Code Versions for Rev. C.02


Important Notes for Gaussian 16 Revision C.02 Source Code:

• Binaries for the AMD/Intel x86_64 AVX2-enabled platform can be built with GPU support for NVIDIA K40, K80, P100, V100
and A100 boards with 12 GB of memory or higher. A version of NVIDIA drivers compatible with CUDA 11.2 is required to run
binaries built with the Revision C.02 source code (NVIDIA drivers can be found at www.nvidia.com/download/index.aspx).
• Other binaries may also be built from the Revision C.02 source code DVD. Although their functionality has not changed, the
build procedure for the other AMD/Intel x86_64-based binary versions has been modified to use the compilers in the NVIDIA
HPC SDK. Their requirements are listed in the second table below.
• Linda 9.2 is required for network parallel use of Gaussian 16 Revision C.01. Earlier versions of Linda are incompatible. Thus,
upgrading from Gaussian 16 Rev. A.03 or B.01 w/Linda to G16 Rev. C.01 w/Linda requires an update to Linda 9.2.
• In order to build on Intel-based Macintosh computers, the source code and tools must be installed on an HFS+ case-sensitive
file system (or a UFS file system for systems where that is supported).
• The Linux RedHat and SuSE versions specified for x86_64, IA32, and IBM Power systems refer only to the unmodified,
unpatched original media/ISO image distributions as released by the vendor.
REVISION C.02 PLATFORM WITH NVIDIA A100 SUPPORT
Vendor CPU Shared Linda OS Version(s) Fortran C Libraries & Drivers
Memory Parallel
Parallel
AMD/Intel x86_64 (AVX2- Y Y openSUSE Linux 15.x, Leap 42.3; SuSE NVIDIA HPC SDK 21.3 gcc included with Atlas (included on G16 CD);
enabled) Linux Enterprise Server 12 SP4; Red developer.nvidia.com/hpc-sdk Linux drivers compatible with
Hat Enterprise Linux 8.3 NVIDIA CUDA 11.2

REVISION C.02 PLATFORMS WITH NEW BUILD PROCEDURE


Vendor CPU Shared Linda OS Version(s) Fortran C Libraries
Memory Parallel
Parallel
AMD/Intel x86_64 Y Y openSUSE Linux 15.x, Leap 42.3; SuSE NVIDIA HPC SDK 21.3 gcc included with Atlas (included on G16 CD)
(“Legacy” – Linux Enterprise Server 12 SP4; Red developer.nvidia.com/hpc-sdk Linux
pre-SSE4.2) Hat Enterprise Linux 8.3
AMD/Intel x86_64 (SSE4.2- Y Y openSUSE Linux 15.x, Leap 42.3; SuSE NVIDIA HPC SDK 21.3 gcc included with Atlas (included on G16 CD)
enabled) Linux Enterprise Server 12 SP4; Red developer.nvidia.com/hpc-sdk Linux
Hat Enterprise Linux 8.3
AMD/Intel x86_64 (AVX- Y Y openSUSE Linux 15.x, Leap 42.3; SuSE NVIDIA HPC SDK 21.3 gcc included with Atlas (included on G16 CD)
enabled) Linux Enterprise Server 12 SP4; Red developer.nvidia.com/hpc-sdk Linux
Hat Enterprise Linux 8.3

REVISION C.02 PLATFORMS UNCHANGED FROM REVISION C.01


Vendor CPU Shared Linda OS Version(s) Fortran C Libraries
Memory Parallel
Parallel
AMD Athlon & IA32 (Pentium Y Y SuSE Linux 10.3, 11.4; Red Hat Portland Group F77 16.5 gcc included with Atlas (included on G16 CD)
Intel IA32-based IV and higher); Enterprise Linux 5.6, 6.1 www.pgroup.com Linux
systems AMD Athlon
Apple EM64T (64-bit Y Y OS X 10.9.5, 10.10.5, 10.11.6, 10.12.6, Portland Group F77 18.10 XCode Atlas (included on G16 CD)
Intel Mac) 10.13.6 www.pgroup.com corresponding to
OS X version
IBM Power 7 (64-bit) Y Y AIX 6.1, 7.1 XLF 13.1.0.12 XLC 11.1.0.12 xlsmp 3.1.0.3; Atlas (included
on G16 CD)
IBM Power 7 (64-bit) Y Y SuSE Enterprise Linux 11 SP2; Red Hat XLF 13.1.0.7 XLC 11.1.0.7 xlsmp 2.1.0.7; Atlas (included
Enterprise Linux 6.3 on G16 CD)
IBM Power 8 (64-bit) Y Y AIX 7.2 XLF 15.1.3.4 XLC 13.1.3.4 xlsmp 4.1.3.0; Atlas (included
on G16 CD)
IBM Power 8 (64-bit) Y Y RedHat Enterprise Linux 7.3 (big XLF 15.1.0.2 XLC 13.1.0.2 xlsmp 4.1.0.2; Atlas (included
endian) on G16 CD)
IBM Power 8 (64-bit) Y Y RedHat Enterprise Linux 7.3 (little XLF 15.1.3.0 XLC 13.1.3.0 xlsmp 4.1.3.0; Atlas (included
endian) on G16 CD)
IBM Power 9 (64-bit) Y Y RedHat Enterprise Linux 7.6 (little XLF 16.1.1.0 XLC 16.1.1.0 xlsmp 5.1.1.0; Atlas (included
endian) on G16 CD)

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