Task 38694692
| Name | test_52-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8299_0 |
| Workunit | 31635427 |
| Created | 31 Oct 2026, 1:13:28 UTC |
| Sent | 31 Oct 2026, 1:13:32 UTC |
| Report deadline | 5 Nov 2026, 1:13:32 UTC |
| Received | 31 Oct 2026, 1:32:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647288 |
| Run time | 18 min 36 sec |
| CPU time | 17 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 57,419.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.67 MB |
| Peak swap size | 10.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:14:26 (246008): wrapper (7.9.26016): starting
02:14:26 (246008): 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
02:14:27 (246008): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:14:27 (246008): 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\24\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\24\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
02:32:14 (246008): C:/Windows/system32/cmd.exe exited; CPU time 1045.375000
02:32:14 (246008): 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: 22090915 bytes.
Dumping objects ->
{3835706} normal block at 0x000001F5C776C9C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835695} normal block at 0x000001F5C776D050, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835684} normal block at 0x000001F5C776D440, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835673} normal block at 0x000001F5C776C950, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835662} normal block at 0x000001F5C5A24DF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835631} normal block at 0x000001F5C77B9E80, 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) : {3835618} normal block at 0x000001F5C5A1F250, 8 bytes long.
Data: < ìÅõ > 00 00 EC C5 F5 01 00 00
{3833957} normal block at 0x000001F5C5A1E9E0, 8 bytes long.
Data: <P"§Åõ > 50 22 A7 C5 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F5C5A20E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F5C5A165B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001F5C5A26260, 16 bytes long.
Data: <ØU¢Åõ > D8 55 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5C5A26490, 16 bytes long.
Data: <°U¢Åõ > B0 55 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F5C5A1FD00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001F5C5A25770, 16 bytes long.
Data: < U¢Åõ > 88 55 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5C5A25C70, 16 bytes long.
Data: <`U¢Åõ > 60 55 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F5C5A265D0, 16 bytes long.
Data: <8U¢Åõ > 38 55 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5C5A26580, 16 bytes long.
Data: < U¢Åõ > 10 55 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F5C5A24760, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001F5C5A25B30, 16 bytes long.
Data: < µ Åõ > 98 B5 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5C5A201E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001F5C5A26440, 16 bytes long.
Data: <pµ Åõ > 70 B5 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F5C5A261C0, 16 bytes long.
Data: <Hµ Åõ > 48 B5 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F5C5A25720, 16 bytes long.
Data: < µ Åõ > 20 B5 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5C5A25DB0, 16 bytes long.
Data: <ø´ Åõ > F8 B4 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F5C5A26350, 16 bytes long.
Data: <д Åõ > D0 B4 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5C5A26670, 16 bytes long.
Data: <¨´ Åõ > A8 B4 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F5C5A20300, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001F5C5A258B0, 16 bytes long.
Data: < ´ Åõ > 80 B4 A0 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F5C5A0B480, 320 bytes long.
Data: <°X¢Åõ ¢Åõ > B0 58 A2 C5 F5 01 00 00 00 03 A2 C5 F5 01 00 00
{274} normal block at 0x000001F5C5A26210, 16 bytes long.
Data: <ðT¢Åõ > F0 54 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5C5A259F0, 16 bytes long.
Data: <ÈT¢Åõ > C8 54 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F5C5A206C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001F5C5A257C0, 16 bytes long.
Data: < T¢Åõ > A0 54 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F5C5A203C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001F5C5A259A0, 16 bytes long.
Data: <èS¢Åõ > E8 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5C5A25B80, 16 bytes long.
Data: <ÀS¢Åõ > C0 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5C5A26620, 16 bytes long.
Data: < S¢Åõ > 98 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F5C5A26120, 16 bytes long.
Data: <pS¢Åõ > 70 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5C5A25D60, 16 bytes long.
Data: <HS¢Åõ > 48 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F5C5A1EEE0, 16 bytes long.
Data: < S¢Åõ > 20 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5C5A1ED50, 16 bytes long.
Data: <ÀK¢Åõ > C0 4B A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F5C5A24BC0, 40 bytes long.
Data: <Pí¡Åõ ž{Çõ > 50 ED A1 C5 F5 01 00 00 80 9E 7B C7 F5 01 00 00
{260} normal block at 0x000001F5C5A1EC60, 16 bytes long.
Data: < S¢Åõ > 00 53 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5C5A1F4D0, 16 bytes long.
Data: <ØR¢Åõ > D8 52 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F5C5A1FCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001F5C5A1EBC0, 16 bytes long.
Data: <°R¢Åõ > B0 52 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F5C5A252B0, 992 bytes long.
Data: <Àë¡Åõ  ü¡Åõ > C0 EB A1 C5 F5 01 00 00 A0 FC A1 C5 F5 01 00 00
{92} normal block at 0x000001F5C5A1FC40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001F5C5A1F110, 16 bytes long.
Data: <°H¢Åõ > B0 48 A2 C5 F5 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F5C5A248B0, 40 bytes long.
Data: < ñ¡Åõ @ü¡Åõ > 10 F1 A1 C5 F5 01 00 00 40 FC A1 C5 F5 01 00 00
{69} normal block at 0x000001F5C5A1F0C0, 16 bytes long.
Data: < ê§pö > 80 EA A7 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5C5A1F2F0, 16 bytes long.
Data: <@é§pö > 40 E9 A7 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5C5A1F340, 16 bytes long.
Data: <øW¤pö > F8 57 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5C5A1EDA0, 16 bytes long.
Data: <ØW¤pö > D8 57 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5C5A1F610, 16 bytes long.
Data: <P ¤pö > 50 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5C5A1E8A0, 16 bytes long.
Data: <0 ¤pö > 30 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5C5A1F6B0, 16 bytes long.
Data: <à ¤pö > E0 02 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F5C5A1F020, 16 bytes long.
Data: < ¤pö > 10 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F5C5A1EF30, 16 bytes long.
Data: <p ¤pö > 70 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F5C5A1E7B0, 16 bytes long.
Data: < À¢pö > 18 C0 A2 70 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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