Task 38694047
| Name | test_187-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND2606_0 |
| Workunit | 31634821 |
| Created | 30 Oct 2026, 17:35:41 UTC |
| Sent | 30 Oct 2026, 17:35:51 UTC |
| Report deadline | 4 Nov 2026, 17:35:51 UTC |
| Received | 1 Nov 2026, 12:27:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 594544 |
| Run time | 1 hours 23 min 59 sec |
| CPU time | 1 hours 22 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,085.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 692.57 MB |
| Peak swap size | 9.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:47:03 (16092): wrapper (7.9.26016): starting
19:47:03 (16092): 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
19:47:05 (16092): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:47:05 (16092): 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\2\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\2\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.
14:08:17 (15196): wrapper (7.9.26016): starting
14:08:17 (15196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
14:27:21 (15196): C:/Windows/system32/cmd.exe exited; CPU time 1121.375000
14:27:21 (15196): 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: 17239468 bytes.
Dumping objects ->
{1544} normal block at 0x00000226CAC8B500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x00000226CAC8B490, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1522} normal block at 0x00000226CAC8B570, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1511} normal block at 0x00000226CAC8B420, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1500} normal block at 0x00000226CAC8B3B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1469} normal block at 0x00000226CAC75B30, 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) : {1456} normal block at 0x00000226CAC92300, 8 bytes long.
Data: < & > 00 00 BE CA 26 02 00 00
{300} normal block at 0x00000226CAC928F0, 8 bytes long.
Data: <@5 & > 40 35 C9 CA 26 02 00 00
{291} normal block at 0x00000226CAC75A10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000226CAC929E0, 16 bytes long.
Data: <H4 & > 48 34 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000226CAC92940, 16 bytes long.
Data: < 4 & > 20 34 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000226CAC8CDB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000226CAC92620, 16 bytes long.
Data: < 3 & > F8 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000226CAC92530, 16 bytes long.
Data: < 3 & > D0 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000226CAC922B0, 16 bytes long.
Data: < 3 & > A8 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000226CAC928A0, 16 bytes long.
Data: < 3 & > 80 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000226CAC8AFC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000226CAC92850, 16 bytes long.
Data: < & > F8 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000226CAC8D1D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000226CAC92350, 16 bytes long.
Data: < & > D0 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000226CAC92B20, 16 bytes long.
Data: < & > A8 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000226CAC925D0, 16 bytes long.
Data: < & > 80 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000226CAC926C0, 16 bytes long.
Data: <X & > 58 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000226CAC92210, 16 bytes long.
Data: <0 & > 30 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000226CAC91F90, 16 bytes long.
Data: < & > 08 C1 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000226CAC8D170, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000226CAC92B70, 16 bytes long.
Data: < & > E0 C0 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000226CAC8C0E0, 320 bytes long.
Data: <p+ & p & > 70 2B C9 CA 26 02 00 00 70 D1 C8 CA 26 02 00 00
{270} normal block at 0x00000226CAC921C0, 16 bytes long.
Data: <`3 & > 60 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000226CAC91D60, 16 bytes long.
Data: <83 & > 38 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000226CAC8D110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000226CAC92580, 16 bytes long.
Data: < 3 & > 10 33 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000226CAC8C510, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000226CAC92170, 16 bytes long.
Data: <X2 & > 58 32 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000226CAC92800, 16 bytes long.
Data: <02 & > 30 32 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000226CAC92260, 16 bytes long.
Data: < 2 & > 08 32 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000226CAC924E0, 16 bytes long.
Data: < 1 & > E0 31 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000226CAC92AD0, 16 bytes long.
Data: < 1 & > B8 31 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000226CAC92C10, 16 bytes long.
Data: < 1 & > 90 31 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000226CAC92A80, 16 bytes long.
Data: < & > E0 B5 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000226CAC8B5E0, 40 bytes long.
Data: < * & 0[ & > 80 2A C9 CA 26 02 00 00 30 5B C7 CA 26 02 00 00
{256} normal block at 0x00000226CAC927B0, 16 bytes long.
Data: <p1 & > 70 31 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000226CAC923F0, 16 bytes long.
Data: <H1 & > 48 31 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000226CAC8C2D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000226CAC92120, 16 bytes long.
Data: < 1 & > 20 31 C9 CA 26 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000226CAC93120, 992 bytes long.
Data: < ! & & > 20 21 C9 CA 26 02 00 00 D0 C2 C8 CA 26 02 00 00
{88} normal block at 0x00000226CAC8C570, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000226CAC86AF0, 16 bytes long.
Data: <@ & > 40 B3 C8 CA 26 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000226CAC8B340, 40 bytes long.
Data: < j & p & > F0 6A C8 CA 26 02 00 00 70 C5 C8 CA 26 02 00 00
{65} normal block at 0x00000226CAC86EB0, 16 bytes long.
Data: < > 80 EA CF 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000226CAC86E60, 16 bytes long.
Data: <@ > 40 E9 CF 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000226CAC86230, 16 bytes long.
Data: < W > F8 57 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000226CAC86B90, 16 bytes long.
Data: < W > D8 57 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000226CAC86960, 16 bytes long.
Data: <P > 50 04 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000226CAC86FF0, 16 bytes long.
Data: <0 > 30 04 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000226CAC87090, 16 bytes long.
Data: < > E0 02 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000226CAC86FA0, 16 bytes long.
Data: < > 10 04 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000226CAC86F50, 16 bytes long.
Data: <p > 70 04 CC 14 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000226CAC86F00, 16 bytes long.
Data: < > 18 C0 CA 14 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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