Task 38667063
| Name | test_871-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND6506_0 |
| Workunit | 31609751 |
| Created | 25 Oct 2026, 6:09:12 UTC |
| Sent | 25 Oct 2026, 6:09:28 UTC |
| Report deadline | 30 Oct 2026, 6:09:28 UTC |
| Received | 25 Oct 2026, 7:47:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653612 |
| Run time | 1 hours 32 min 51 sec |
| CPU time | 1 hours 24 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,141.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 668.30 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:14:32 (6132): wrapper (7.9.26016): starting
14:14:32 (6132): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:14:56 (6132): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:14:56 (6132): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\11\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\11\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
15:46:56 (6132): C:/Windows/system32/cmd.exe exited; CPU time 5067.312500
15:46:56 (6132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 72610051 bytes.
Dumping objects ->
{3835525} normal block at 0x000001C55C299EF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x000001C55A3C4D30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x000001C55A3C4CC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835492} normal block at 0x000001C55A3C48D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x000001C55A3C4C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835450} normal block at 0x000001C55C288850, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835437} normal block at 0x000001C55A3C06D0, 8 bytes long.
Data: < jZ > 00 00 6A 5A C5 01 00 00
{3834053} normal block at 0x000001C55A3C0950, 8 bytes long.
Data: < K.\ > C0 4B 2E 5C C5 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C55A3BE570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C55A3B57F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001C55A3C5EE0, 16 bytes long.
Data: < T<Z > 88 54 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C55A3C6110, 16 bytes long.
Data: <`T<Z > 60 54 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C55A3BFF80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001C55A3C5DA0, 16 bytes long.
Data: <8T<Z > 38 54 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C55A3C5B70, 16 bytes long.
Data: < T<Z > 10 54 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C55A3C6390, 16 bytes long.
Data: < S<Z > E8 53 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C55A3C5FD0, 16 bytes long.
Data: < S<Z > C0 53 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C55A3C4E10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001C55A3C5DF0, 16 bytes long.
Data: <x ;Z > 78 8B 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C55A3BF740, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001C55A3C5E90, 16 bytes long.
Data: <P ;Z > 50 8B 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C55A3C5D00, 16 bytes long.
Data: <( ;Z > 28 8B 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C55A3C6340, 16 bytes long.
Data: < ;Z > 00 8B 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C55A3C5850, 16 bytes long.
Data: < ;Z > D8 8A 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C55A3C5800, 16 bytes long.
Data: < ;Z > B0 8A 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C55A3C5F80, 16 bytes long.
Data: < ;Z > 88 8A 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C55A3BF860, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001C55A3C6430, 16 bytes long.
Data: <` ;Z > 60 8A 3B 5A C5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C55A3B8A60, 320 bytes long.
Data: <0d<Z ` ;Z > 30 64 3C 5A C5 01 00 00 60 F8 3B 5A C5 01 00 00
{275} normal block at 0x000001C55A3C6020, 16 bytes long.
Data: < S<Z > A0 53 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C55A3C58F0, 16 bytes long.
Data: <xS<Z > 78 53 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C55A3BFF20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001C55A3C5710, 16 bytes long.
Data: <PS<Z > 50 53 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C55A3BFA40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001C55A3C5760, 16 bytes long.
Data: < R<Z > 98 52 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C55A3C5CB0, 16 bytes long.
Data: <pR<Z > 70 52 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C55A3C57B0, 16 bytes long.
Data: <HR<Z > 48 52 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C55A3C5E40, 16 bytes long.
Data: < R<Z > 20 52 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C55A3C1350, 16 bytes long.
Data: < Q<Z > F8 51 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C55A3C0F40, 16 bytes long.
Data: < Q<Z > D0 51 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C55A3C0C70, 16 bytes long.
Data: < M<Z > A0 4D 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C55A3C4DA0, 40 bytes long.
Data: <p <Z P (\ > 70 0C 3C 5A C5 01 00 00 50 88 28 5C C5 01 00 00
{261} normal block at 0x000001C55A3C0680, 16 bytes long.
Data: < Q<Z > B0 51 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C55A3C0A40, 16 bytes long.
Data: < Q<Z > 88 51 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C55A3BF980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001C55A3C1030, 16 bytes long.
Data: <`Q<Z > 60 51 3C 5A C5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C55A3C5160, 992 bytes long.
Data: <0 <Z ;Z > 30 10 3C 5A C5 01 00 00 80 F9 3B 5A C5 01 00 00
{93} normal block at 0x000001C55A3C00A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001C55A3C0CC0, 16 bytes long.
Data: <@ :Z > 40 B4 3A 5A C5 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001C55A3AB440, 40 bytes long.
Data: < <Z <Z > C0 0C 3C 5A C5 01 00 00 A0 00 3C 5A C5 01 00 00
{68} normal block at 0x000001C55A3C1300, 16 bytes long.
Data: < > 80 EA B6 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C55A3C0900, 16 bytes long.
Data: <@ > 40 E9 B6 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C55A3C10D0, 16 bytes long.
Data: < W > F8 57 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C55A3C0AE0, 16 bytes long.
Data: < W > D8 57 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C55A3C13A0, 16 bytes long.
Data: <P > 50 04 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C55A3C0450, 16 bytes long.
Data: <0 > 30 04 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C55A3C08B0, 16 bytes long.
Data: < > E0 02 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C55A3C1170, 16 bytes long.
Data: < > 10 04 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C55A3C0A90, 16 bytes long.
Data: <p > 70 04 B3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C55A3C0860, 16 bytes long.
Data: < > 18 C0 B1 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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