Task 38675089
| Name | test_841-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2316_0 |
| Workunit | 31617087 |
| Created | 26 Oct 2026, 7:13:11 UTC |
| Sent | 26 Oct 2026, 7:13:12 UTC |
| Report deadline | 31 Oct 2026, 7:13:12 UTC |
| Received | 26 Oct 2026, 7:36:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602597 |
| Run time | 22 min 49 sec |
| CPU time | 16 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 40,001.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 715.30 MB |
| Peak swap size | 8.51 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:14:16 (121256): wrapper (7.9.26016): starting
00:14:16 (121256): 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
00:14:17 (121256): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:14:17 (121256): 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\17\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\17\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
00:36:11 (121256): C:/Windows/system32/cmd.exe exited; CPU time 999.468750
00:36:11 (121256): 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: 29581131 bytes.
Dumping objects ->
{3835198} normal block at 0x000001934A8315D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000001934A830D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000001934A830D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835165} normal block at 0x000001934A830FB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001934A8311E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835123} normal block at 0x000001934A8DC0B0, 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) : {3835110} normal block at 0x0000019348C4AC60, 8 bytes long.
Data: < ÀH“ > 00 00 C0 48 93 01 00 00
{3833959} normal block at 0x0000019348C4AAD0, 8 bytes long.
Data: <°ÃÃH“ > B0 C3 C3 48 93 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000019348C3F2D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019348C3BFB0, 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 0x0000019348C53180, 16 bytes long.
Data: < CÅH“ > 18 43 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019348C52E10, 16 bytes long.
Data: <ðBÅH“ > F0 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019348C4D6E0, 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 0x0000019348C52D20, 16 bytes long.
Data: <ÈBÅH“ > C8 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019348C52C30, 16 bytes long.
Data: < BÅH“ > A0 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019348C52F00, 16 bytes long.
Data: <xBÅH“ > 78 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019348C53310, 16 bytes long.
Data: <PBÅH“ > 50 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019348C4EC50, 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 0x0000019348C52FA0, 16 bytes long.
Data: <hßÃH“ > 68 DF C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019348C4D560, 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 0x0000019348C53B30, 16 bytes long.
Data: <@ßÃH“ > 40 DF C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019348C53AE0, 16 bytes long.
Data: < ßÃH“ > 18 DF C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019348C533B0, 16 bytes long.
Data: <ðÞÃH“ > F0 DE C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019348C52F50, 16 bytes long.
Data: <ÈÞÃH“ > C8 DE C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019348C53B80, 16 bytes long.
Data: < ÞÃH“ > A0 DE C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019348C53A40, 16 bytes long.
Data: <xÞÃH“ > 78 DE C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019348C4D5C0, 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 0x0000019348C53360, 16 bytes long.
Data: <PÞÃH“ > 50 DE C3 48 93 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019348C3DE50, 320 bytes long.
Data: <`3ÅH“ ÀÕÄH“ > 60 33 C5 48 93 01 00 00 C0 D5 C4 48 93 01 00 00
{275} normal block at 0x0000019348C53A90, 16 bytes long.
Data: <0BÅH“ > 30 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019348C52CD0, 16 bytes long.
Data: < BÅH“ > 08 42 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019348C4DBC0, 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 0x0000019348C539A0, 16 bytes long.
Data: <àAÅH“ > E0 41 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019348C4D500, 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 0x0000019348C532C0, 16 bytes long.
Data: <(AÅH“ > 28 41 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019348C53950, 16 bytes long.
Data: < AÅH“ > 00 41 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019348C52D70, 16 bytes long.
Data: <Ø@ÅH“ > D8 40 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019348C53900, 16 bytes long.
Data: <°@ÅH“ > B0 40 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019348C53680, 16 bytes long.
Data: < @ÅH“ > 88 40 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019348C53540, 16 bytes long.
Data: <`@ÅH“ > 60 40 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019348C53450, 16 bytes long.
Data: <ðîÄH“ > F0 EE C4 48 93 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019348C4EEF0, 40 bytes long.
Data: <P4ÅH“ °À J“ > 50 34 C5 48 93 01 00 00 B0 C0 8D 4A 93 01 00 00
{261} normal block at 0x0000019348C53270, 16 bytes long.
Data: <@@ÅH“ > 40 40 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019348C53220, 16 bytes long.
Data: < @ÅH“ > 18 40 C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019348C4D440, 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 0x0000019348C538B0, 16 bytes long.
Data: <ð?ÅH“ > F0 3F C5 48 93 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019348C53FF0, 992 bytes long.
Data: <°8ÅH“ @ÔÄH“ > B0 38 C5 48 93 01 00 00 40 D4 C4 48 93 01 00 00
{93} normal block at 0x0000019348C4D320, 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 0x0000019348C4AE90, 16 bytes long.
Data: < êÄH“ > 90 EA C4 48 93 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000019348C4EA90, 40 bytes long.
Data: < ®ÄH“ ÓÄH“ > 90 AE C4 48 93 01 00 00 20 D3 C4 48 93 01 00 00
{70} normal block at 0x0000019348C4B660, 16 bytes long.
Data: < ê wö > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019348C4B4D0, 16 bytes long.
Data: <@é wö > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019348C4B890, 16 bytes long.
Data: <øW wö > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019348C4B430, 16 bytes long.
Data: <ØW wö > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019348C4AFD0, 16 bytes long.
Data: <P wö > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019348C4AA80, 16 bytes long.
Data: <0 wö > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019348C4AC10, 16 bytes long.
Data: <à wö > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019348C4B7A0, 16 bytes long.
Data: < wö > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019348C4B390, 16 bytes long.
Data: <p wö > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019348C4B610, 16 bytes long.
Data: < À wö > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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