Dear Andrea,
Thank you very much for your kind reply, I will try to gather all the requested info as I am currently in contact with the HPC support team.
I attach two folders, one that finished (Pt*_d07), however OUTCAR file is too large 58MB, and compressed is 20 MB and the file size limit to upload is 8MB.
The other one (after many tries) still did not finished (Pt*_dx1).
In both files, the batch script is 'slurm_mnv' file. Both calculations were launched at the same HPC, with same batch script except for number of nodes. in the succesful run, nodes=2 and in the error run I tried with several requested nodes, you will find many tries in the error.zip file if you run $: head Pt1_0def.out*
Here is the requested info :
$user:
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ldd /apps/GPP/VASP/6.4.2/INTEL/IMPI/bin/vasp_gam
linux-vdso.so.1 (0x00007fffe3527000)
/opt/.snoopy/lib/libsnoopy.so (0x00007ffa11f8e000)
libmkl_intel_lp64.so.2 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mkl/2023.2.0/lib/intel64/libmkl_intel_lp64.so.2 (0x00007ffa10a92000)
libmkl_sequential.so.2 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mkl/2023.2.0/lib/intel64/libmkl_sequential.so.2 (0x00007ffa0f10e000)
libmkl_core.so.2 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mkl/2023.2.0/lib/intel64/libmkl_core.so.2 (0x00007ffa0ad96000)
libstdc++.so.6 => /lib64/libstdc++.so.6 (0x00007ffa0ab61000)
libmkl_scalapack_lp64.so.2 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mkl/2023.2.0/lib/intel64/libmkl_scalapack_lp64.so.2 (0x00007ffa0a436000)
libmkl_blacs_intelmpi_lp64.so.2 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mkl/2023.2.0/lib/intel64/libmkl_blacs_intelmpi_lp64.so.2 (0x00007ffa0a3f2000)
libhdf5_fortran.so.102 => /apps/GPP/HDF5/1.10.11/INTEL/IMPI/lib/libhdf5_fortran.so.102 (0x00007ffa0a394000)
libmpifort.so.12 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mpi/2021.10.0/lib/libmpifort.so.12 (0x00007ffa09fe2000)
libmpi.so.12 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/mpi/2021.10.0/lib/release/libmpi.so.12 (0x00007ffa08511000)
libm.so.6 => /lib64/libm.so.6 (0x00007ffa08436000)
libc.so.6 => /lib64/libc.so.6 (0x00007ffa0822d000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00007ffa08212000)
libdl.so.2 => /lib64/libdl.so.2 (0x00007ffa0820d000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x00007ffa08206000)
/lib64/ld-linux-x86-64.so.2 (0x00007ffa11f9f000)
libhdf5.so.103 => /apps/GPP/HDF5/1.10.11/INTEL/IMPI/lib/libhdf5.so.103 (0x00007ffa07d47000)
libz.so.1 => /lib64/libz.so.1 (0x00007ffa07d2d000)
libifport.so.5 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/compiler/latest/linux/compiler/lib/intel64_lin/libifport.so.5 (0x00007ffa07d03000)
libifcoremt.so.5 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/compiler/latest/linux/compiler/lib/intel64_lin/libifcoremt.so.5 (0x00007ffa07b89000)
libimf.so => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/compiler/latest/linux/compiler/lib/intel64_lin/libimf.so (0x00007ffa0779d000)
libintlc.so.5 => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/compiler/latest/linux/compiler/lib/intel64_lin/libintlc.so.5 (0x00007ffa07725000)
libsvml.so => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/compiler/latest/linux/compiler/lib/intel64_lin/libsvml.so (0x00007ffa060f6000)
librt.so.1 => /lib64/librt.so.1 (0x00007ffa060f1000)
libirng.so => /gpfs/apps/MN5/GPP/ONEAPI/2023.2.0/compiler/latest/linux/compiler/lib/intel64_lin/libirng.so (0x00007ffa05dda000)
Loading modules:
$user: module load hdf5/1.10.11
$user: module load vasp/6.4.2
$user: module list
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Currently Loaded Modules:
1) intel/2023.2.0 3) mkl/2023.2.0 5) oneapi/2023.2.0 7) hdf5/1.10.11
2) impi/2021.10.0 4) ucx/1.15.0 6) bsc/1.0 8) vasp/6.4.2
$ lscpu
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Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Address sizes: 46 bits physical, 57 bits virtual
Byte Order: Little Endian
CPU(s): 224
On-line CPU(s) list: 0-223
Vendor ID: GenuineIntel
Model name: Intel(R) Xeon(R) Platinum 8480+
CPU family: 6
Model: 143
Thread(s) per core: 2
Core(s) per socket: 56
Socket(s): 2
Stepping: 8
CPU max MHz: 3800.0000
CPU min MHz: 800.0000
BogoMIPS: 4000.00
Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx
fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bt
s rep_good nopl xtopology nonstop_tsc cpuid aperfmperf tsc_known_freq pni pclmulqdq dtes64 ds
_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt
tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l
3 cat_l2 cdp_l3 invpcid_single intel_ppin cdp_l2 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_s
hadow vnmi flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid
cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_n
i avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mb
m_local split_lock_detect avx_vnni avx512_bf16 wbnoinvd dtherm ida arat pln pts avx512vbmi um
ip pku ospke waitpkg avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_v
popcntdq la57 rdpid bus_lock_detect cldemote movdiri movdir64b enqcmd fsrm md_clear serialize
tsxldtrk pconfig arch_lbr ibt amx_bf16 avx512_fp16 amx_tile amx_int8 flush_l1d arch_capabili
ties
Virtualization features:
Virtualization: VT-x
Caches (sum of all):
L1d: 5.3 MiB (112 instances)
L1i: 3.5 MiB (112 instances)
L2: 224 MiB (112 instances)
L3: 210 MiB (2 instances)
NUMA:
NUMA node(s): 2
NUMA node0 CPU(s): 0-55,112-167
NUMA node1 CPU(s): 56-111,168-223
Vulnerabilities:
Itlb multihit: Not affected
L1tf: Not affected
Mds: Not affected
Meltdown: Not affected
Mmio stale data: Not affected
Retbleed: Not affected
Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl
Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization
Spectre v2: Mitigation; Enhanced IBRS, IBPB conditional, RSB filling, PBRSB-eIBRS SW sequence
Srbds: Not affected
Tsx async abort: Not affected
$ lsmem
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RANGE SIZE STATE REMOVABLE BLOCK
0x0000000000000000-0x000000007fffffff 2G online yes 0
0x0000000100000000-0x000000407fffffff 254G online yes 2-128
Memory block size: 2G
Total online memory: 256G
Total offline memory: 0B
$lstopo
I found another command that can spit the required information: "$ lstopo-no-graphics " however I reached the maximum characters size in this post so I will continue in the next post.
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