Using PEST with CycleCloud (Azure) Cluster

[McPIIguy]

Is it possible to run PEST on a virtual cluster that is sized by cores based on the job demand?

[jtwhite79]

you can run both pest and pest++ in the cloud, but Im not sure about the "sized by cores based on the job demand" bit. Workers can come and go if that is what you mean...

[McPIIguy]

Thanks J Dub, I think that is the answer I needed. Best regards, Stan McKenzie IT/Cyber Engineer Navarro, under contract with the U.S. Department of Energy Environmental Management Nevada Program 702-724-0897 - Work Telephone From: J Dub ***@***.***> Sent: Friday, August 16, 2024 8:34 AM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) you can run both pest and pest++ in the cloud, but Im not sure about the "sized by cores based on the job demand" bit. Workers can come and go if that is what you mean... — Reply to this email directly, view it on GitHub<#306 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPOTFWKZC266PZYDBZTZRYLV3AVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZWGA2DMMQ>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[McPIIguy]

We currently have a physical cluster with work nodes accessed by the head node via IP address. I’m told that PEST is configured to use specific work nodes by IP address for that cluster. For our Azure cluster, a cluster is built when the job is submitted and IP addresses aren’t known until after the fact. In that case how would PEST be configured? Thanks, Stan McKenzie IT/Cyber Engineer Navarro, under contract with the U.S. Department of Energy Environmental Management Nevada Program 702-724-0897 - Work Telephone From: J Dub ***@***.***> Sent: Friday, August 16, 2024 8:34 AM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) you can run both pest and pest++ in the cloud, but Im not sure about the "sized by cores based on the job demand" bit. Workers can come and go if that is what you mean... — Reply to this email directly, view it on GitHub<#306 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPOTFWKZC266PZYDBZTZRYLV3AVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZWGA2DMMQ>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[jtwhite79]

The master is a tcp/ip "listener" (or server) and the workers need to know either the unc name of the physical/virtual host of the master or the ipv4 address of the master, but the master doesnt need to know the details of the worker machines. So you'll need to know (or get) the ipv4 address of the master virtual machine once it spins up and then pass that the workers when they are instantiated. Ive seen this done programmatically where you can grep the master ip address and then pass it to the worker command line... @mnfienen might know better about all this tho...

[mnfienen]

We have been running PEST++ in AWS. At the moment, we have to know the ipv4 address of the master before launching workers. You'd really only be able to get around that if you pass it along programmatically, as @jtwhite79 suggests. We felt like it was more straightforward to make sure the master IP is static at least for the duration of the cluster being active

[McPIIguy]

It seems like it will work for us then as we do have a static IP assigned to the scheduler/master in Azure. So all that is needed is to assign that IP in PEST, correct? From: mnfienen ***@***.***> Sent: Friday, August 16, 2024 10:19 AM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) We have been running PEST++ in AWS. At the moment, we have to know the ipv4 address of the master before launching workers. You'd really only be able to get around that if you pass it along programmatically, as @jtwhite79<https://github.com/jtwhite79> suggests. We felt like it was more straightforward to make sure the master IP is static at least for the duration of the cluster being active — Reply to this email directly, view it on GitHub<#306 (reply in thread)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPO44ELCTPQUAHESGK3ZRYYA5AVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZWGE2DKMQ>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[mnfienen]

yep that's correct! The workers can have IP addresses assigned at launch since they initiate the communication with the scheduler/master.

[McPIIguy]

I appreciate your insights, it will be very helpful. From: mnfienen ***@***.***> Sent: Friday, August 16, 2024 10:35 AM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) yep that's correct! The workers can have IP addresses assigned at launch since they initiate the communication with the scheduler/master. — Reply to this email directly, view it on GitHub<#306 (reply in thread)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPL2IDUWV64DHCAAR6TZRYZ2TAVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZWGE2TSNI>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[McPIIguy]

Good day - I have built an on-demand Azure cluster based on AlmaLinux and have installed pest but am having difficulties getting compiles to run. I wonder if you can provide any insights related to the following output from the make run. ***@***.*** pest_source_mpi]# make -f pest.mak all gfortran -c -O3 -static pestdata.for gfortran -c -O3 -static pest.for gfortran -c -O3 -static pestsub2.for gfortran -c -O3 -static writall.for gfortran -c -O3 -static pardef.for gfortran -c -O3 -static readpest.for gfortran -c -O3 -static runpest.for gfortran -static -o pest \ pest.o pestsub1.o pestsub2.o dercalc.o modrun.o writall.o \ linpos.o lapack1.o writsig.o common.o \ pgetcl.o pestwait.o writint.o pardef.o\ drealrd.o space.o optwt.o cgsolve.o compress.o \ readpest.o runpest.o lsqr.o orthog.o ms_stubs.o pestdata.o /bin/ld: cannot find -lgfortran /bin/ld: cannot find -lm /bin/ld: cannot find -lquadmath /bin/ld: cannot find -lm /bin/ld: cannot find -lc collect2: error: ld returned 1 exit status make: *** [pest.mak:307: pest] Error 1 Note that all the libraries that cannot be found are installed and in the case of "lgfortran" I created a link to the location it's looking for the library at "ln -s /usr/lib64/libgfortran.so.5.0.0 /usr/lib/libgfortran.so". Again, your insights are appreciated. Stan McKenzie IT/Cyber Engineer Navarro, under contract with the U.S. Department of Energy Environmental Management Nevada Program 702-724-0897 - Work Telephone From: McKenzie, Stan (CONTR) Sent: Friday, August 16, 2024 10:37 AM To: usgs/pestpp ***@***.***> Subject: RE: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) I appreciate your insights, it will be very helpful. From: mnfienen ***@***.******@***.***>> Sent: Friday, August 16, 2024 10:35 AM To: usgs/pestpp ***@***.******@***.***>> Cc: McKenzie, Stan (CONTR) ***@***.******@***.***>>; Author ***@***.******@***.***>> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) yep that's correct! The workers can have IP addresses assigned at launch since they initiate the communication with the scheduler/master. - Reply to this email directly, view it on GitHub<#306 (reply in thread)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPL2IDUWV64DHCAAR6TZRYZ2TAVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZWGE2TSNI>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[McPIIguy]

Hi – I am trying to run a pest compile, but it fails with what is shown below. I cannot get any answers from the PEST developers, can you please offer any insights? Note that I did create a slink to lgfortran and an “ld -lgfortran –verbose” finds it. Thanks, and best regards for a great weekend! ***@***.*** pest_source_mpi]$ sudo make -f pest.mak all gfortran -c -O3 -static pestdata.for gfortran -c -O3 -static pest.for gfortran -c -O3 -static pestsub2.for gfortran -c -O3 -static writall.for gfortran -c -O3 -static pardef.for gfortran -c -O3 -static readpest.for gfortran -c -O3 -static runpest.for gfortran -static -o pest \ pest.o pestsub1.o pestsub2.o dercalc.o modrun.o writall.o \ linpos.o lapack1.o writsig.o common.o \ pgetcl.o pestwait.o writint.o pardef.o\ drealrd.o space.o optwt.o cgsolve.o compress.o \ readpest.o runpest.o lsqr.o orthog.o ms_stubs.o pestdata.o /bin/ld: cannot find -lgfortran /bin/ld: cannot find -lm /bin/ld: cannot find -lquadmath /bin/ld: cannot find -lm /bin/ld: cannot find -lc collect2: error: ld returned 1 exit status make: *** [pest.mak:307: pest] Error 1 Stan McKenzie IT/Cyber Engineer Navarro, under contract with the U.S. Department of Energy Environmental Management Nevada Program 702-724-0897 - Work Telephone From: McKenzie, Stan (CONTR) Sent: Friday, August 16, 2024 10:37 AM To: usgs/pestpp ***@***.***> Subject: RE: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) I appreciate your insights, it will be very helpful. From: mnfienen ***@***.******@***.***>> Sent: Friday, August 16, 2024 10:35 AM To: usgs/pestpp ***@***.******@***.***>> Cc: McKenzie, Stan (CONTR) ***@***.******@***.***>>; Author ***@***.******@***.***>> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) yep that's correct! The workers can have IP addresses assigned at launch since they initiate the communication with the scheduler/master. — Reply to this email directly, view it on GitHub<#306 (reply in thread)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPL2IDUWV64DHCAAR6TZRYZ2TAVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZWGE2TSNI>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[jtwhite79]

This looks like a compiler install/lib path thing - whats in the LD_LIBRARY_PATH env var? @mwtoews would be the best person to answer this question...

[McPIIguy]

***@***.*** pest_source_mpi]$ echo $LD_LIBRARY_PATH /opt/hpcx-v2.18-gcc-mlnx_ofed-redhat8-cuda12-x86_64/ompi/lib:/opt/hpcx-v2.18-gcc-mlnx_ofed-redhat8-cuda12-x86_64/nccl_rdma_sharp_plugin/lib:/opt/hpcx-v2.18-gcc -mlnx_ofed-redhat8-cuda12-x86_64/sharp/lib:/opt/hpcx-v2.18-gcc-mlnx_ofed-redhat8-cuda12-x86_64/hcoll/lib:/opt/hpcx-v2.18-gcc-mlnx_ofed-redhat8-cuda12-x86_64/uc c/lib/ucc:/opt/hpcx-v2.18-gcc-mlnx_ofed-redhat8-cuda12-x86_64/ucc/lib:/opt/hpcx-v2.18-gcc-mlnx_ofed-redhat8-cuda12-x86_64/ucx/lib/ucx:/opt/hpcx-v2.18-gcc-mlnx_ ofed-redhat8-cuda12-x86_64/ucx/lib It doesn’t look like the location of the lgfortran directory is listed there, does it need to be? Thanks for the insights! From: J Dub ***@***.***> Sent: Friday, November 8, 2024 9:18 AM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) You don't often get email from ***@***.******@***.***>. Learn why this is important<https://aka.ms/LearnAboutSenderIdentification> This looks like a compiler install/lib path thing - whats in the LD_LIBRARY_PATH env var? @mwtoews<https://github.com/mwtoews> would be the best person to answer this question... — Reply to this email directly, view it on GitHub<#306 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPJF4YI23ENCQDYR6LLZ7TW5XAVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTCMJZGE2TMNI>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[jtwhite79]

There are several missing: gfortran, m, quadmath (which is always a fun one to find!) and c

[McPIIguy]

Thanks J Dub! Can I add those directories (when I locate them) to the LD_LIBRARY_PATH like I would the $PATH environment? From: J Dub ***@***.***> Sent: Friday, November 8, 2024 9:57 AM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) There are several missing: gfortran, m, quadmath (which is always a fun one to find!) and c — Reply to this email directly, view it on GitHub<#306 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPOS5HV6LJHUKTNMPXDZ7T3QFAVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTCMJZGE4TGNQ>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[jtwhite79]

I think thats the idea, but Im no expert here. When this has happened to me before, I just blast away the compiler and reinstall haha

[mwtoews]

Hi all, I've had a chance to get to the bottom of this using almalinux:9.4 docker image. I've replicated your errors, and it seems that AlmaLinux needs a few extra "tricks" to enable static repos (e.g. with libgfortran.a), as PEST was developed to be mostly static. (Side point, requiring static everywhere is overboard; shared libraries are sufficient). I've found to install the necessary tools and packages for classic PEST, you'll need these commands:

dnf install -y 'dnf-command(config-manager)'
dnf config-manager --set-enabled crb
dnf install -y almalinux-release-devel
dnf install -y gfortran make
dnf install -y libgfortran-static glibc-static

the last two add the necessary static libraries to the system.

Variables like LD_LIBRARY_PATH are only for shared libraries, so don't have any influence on the compilation of static programs.

[jtwhite79]

Thanks @mwtoews !

[McPIIguy]

Hi Mike – Thanks for the insights, they been very helpful. We do have an issue here with the AlmaLinux version as we are using 8.7 as that is what Microsoft said worked with their Azure CycleCloud cluster and I do see some differences in libraries/commands between the versions. Those highlighted below would not work in 8.7 and I haven’t found a workaround, I’m tempted to upgrade to 9.4 but I think it may affect the CycleCloud functionality like spinning up on-demand worknodes & etc. So, before I upgrade I wanted to know if 9.4 was the only version you used? Again, I am very grateful for your insightful knowledge.

…

--Stan McKenzie From: Mike Taves ***@***.***> Sent: Sunday, November 10, 2024 1:13 PM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) Hi all, I've had a chance to get to the bottom of this using almalinux:9.4 docker image. I've replicated your errors, and it seems that AlmaLinux needs a few extra "tricks" to enable static repos (e.g. with libgfortran.a), as PEST was developed to be mostly static. (Side point, requiring static everywhere is overboard; shared libraries are sufficient). I've found to install the necessary tools and packages for classic PEST, you'll need these commands: dnf install -y 'dnf-command(config-manager)' dnf config-manager --set-enabled crb dnf install -y almalinux-release-devel dnf install -y gfortran make dnf install -y libgfortran-static glibc-static the last two add the necessary static libraries to the system. Variables like LD_LIBRARY_PATH are only for shared libraries, so done have any influence on the compilation. — Reply to this email directly, view it on GitHub<#306 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPMWKONU3Y3777WE4F3Z77D37AVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTCMRQGY3DCMI>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>

[mwtoews]

Yes, I was looking at a 9.4 docker image. But looking at a 8.7 docker image, the recipe is slightly different:

rpm --import https://repo.almalinux.org/almalinux/RPM-GPG-KEY-AlmaLinux
dnf upgrade -y almalinux-release
dnf install -y 'dnf-command(config-manager)'
dnf config-manager --set-enabled powertools
dnf install -y almalinux-release-devel
dnf install -y gcc-gfortran make
dnf install -y libgfortran-static glibc-static

[McPIIguy]

Hi Mike, I am very grateful for the info! All commands up to the fifth line/command worked but with that one I get the following error returned, is that because a repo is missing or do you have other insights? Thanks,

…

--Stan McKenzie ***@***.*** ~]$ sudo dnf install -y almalinux-release-devel AlmaLinux 8 - PowerTools No match for argument: almalinux-release-devel Error: Unable to find a match: almalinux-release-devel From: Mike Taves ***@***.***> Sent: Tuesday, November 12, 2024 1:55 PM To: usgs/pestpp ***@***.***> Cc: McKenzie, Stan (CONTR) ***@***.***>; Author ***@***.***> Subject: Re: [usgs/pestpp] Using PEST with CycleCloud (Azure) Cluster (Discussion #306) Yes, I was looking at a 9.4 docker image. But looking at a 8.7 docker image, the recipe is slightly different: rpm --import https://repo.almalinux.org/almalinux/RPM-GPG-KEY-AlmaLinux dnf upgrade -y almalinux-release dnf install -y 'dnf-command(config-manager)' dnf config-manager --set-enabled powertools dnf install -y almalinux-release-devel dnf install -y gcc-gfortran make dnf install -y libgfortran-static glibc-static — Reply to this email directly, view it on GitHub<#306 (reply in thread)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/BEAYDPNPPB5RQOX75IJRWSL2AJ2JPAVCNFSM6AAAAABMOT36UWVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTCMRTGI4DENY>. You are receiving this because you authored the thread.Message ID: ***@***.******@***.***>>