Task 38662382
| Name | test_159-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND0686_0 |
| Workunit | 31605643 |
| Created | 24 Oct 2026, 18:54:20 UTC |
| Sent | 24 Oct 2026, 18:54:31 UTC |
| Report deadline | 29 Oct 2026, 18:54:31 UTC |
| Received | 25 Oct 2026, 1:07:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 31 min 17 sec |
| CPU time | 1 hours 22 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.36 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.77 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:38:00 (31684): wrapper (7.9.26016): starting
17:38:00 (31684): 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
17:38:01 (31684): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:38:01 (31684): 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\0\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\0\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
19:05:44 (31684): C:/Windows/system32/cmd.exe exited; CPU time 4937.703125
19:05:44 (31684): 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: 154312209 bytes.
Dumping objects ->
{3835485} normal block at 0x0000026385414170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x0000026385414100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x0000026385414020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x0000026385413CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x0000026385413C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000002638774D860, 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) : {3835397} normal block at 0x0000026385409580, 8 bytes long.
Data: < :…c > 00 00 3A 85 63 02 00 00
{3833949} normal block at 0x00000263854093A0, 8 bytes long.
Data: <PÉC…c > 50 C9 43 85 63 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000026385405040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002638540E850, 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 0x0000026385414990, 16 bytes long.
Data: <(WA…c > 28 57 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026385414620, 16 bytes long.
Data: < WA…c > 00 57 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000263854101C0, 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 0x0000026385414CB0, 16 bytes long.
Data: <ØVA…c > D8 56 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026385414940, 16 bytes long.
Data: <°VA…c > B0 56 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026385414490, 16 bytes long.
Data: < VA…c > 88 56 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026385414EE0, 16 bytes long.
Data: <`VA…c > 60 56 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026385414250, 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 0x0000026385415160, 16 bytes long.
Data: <xô?…c > 78 F4 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026385410580, 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 0x0000026385414D00, 16 bytes long.
Data: <Pô?…c > 50 F4 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026385414DF0, 16 bytes long.
Data: <(ô?…c > 28 F4 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026385414440, 16 bytes long.
Data: < ô?…c > 00 F4 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000263854147B0, 16 bytes long.
Data: <Øó?…c > D8 F3 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026385415340, 16 bytes long.
Data: <°ó?…c > B0 F3 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026385414C10, 16 bytes long.
Data: < ó?…c > 88 F3 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000263854102E0, 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 0x0000026385414E40, 16 bytes long.
Data: <`ó?…c > 60 F3 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000263853FF360, 320 bytes long.
Data: <@NA…c à A…c > 40 4E 41 85 63 02 00 00 E0 02 41 85 63 02 00 00
{270} normal block at 0x0000026385414B70, 16 bytes long.
Data: <@VA…c > 40 56 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026385414F80, 16 bytes long.
Data: < VA…c > 18 56 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026385410460, 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 0x00000263854148F0, 16 bytes long.
Data: <ðUA…c > F0 55 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002638540F800, 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 0x00000263854152A0, 16 bytes long.
Data: <8UA…c > 38 55 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026385414850, 16 bytes long.
Data: < UA…c > 10 55 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026385414800, 16 bytes long.
Data: <èTA…c > E8 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026385414760, 16 bytes long.
Data: <ÀTA…c > C0 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026385415250, 16 bytes long.
Data: < TA…c > 98 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000263854149E0, 16 bytes long.
Data: <pTA…c > 70 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026385415390, 16 bytes long.
Data: <àAA…c > E0 41 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000263854141E0, 40 bytes long.
Data: < SA…c `Øt‡c > 90 53 41 85 63 02 00 00 60 D8 74 87 63 02 00 00
{256} normal block at 0x0000026385414AD0, 16 bytes long.
Data: <PTA…c > 50 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026385415200, 16 bytes long.
Data: <(TA…c > 28 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002638540FEC0, 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 0x00000263854150C0, 16 bytes long.
Data: < TA…c > 00 54 41 85 63 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026385415400, 992 bytes long.
Data: <ÀPA…c Àþ@…c > C0 50 41 85 63 02 00 00 C0 FE 40 85 63 02 00 00
{88} normal block at 0x000002638540FCE0, 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 0x0000026385409440, 16 bytes long.
Data: < Ø?…c > 80 D8 3F 85 63 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000263853FD880, 40 bytes long.
Data: <@”@…c àü@…c > 40 94 40 85 63 02 00 00 E0 FC 40 85 63 02 00 00
{65} normal block at 0x0000026385409DA0, 16 bytes long.
Data: < êâÖö > 80 EA E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026385409A80, 16 bytes long.
Data: <@éâÖö > 40 E9 E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026385409760, 16 bytes long.
Data: <øWßÖö > F8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000263854092B0, 16 bytes long.
Data: <ØWßÖö > D8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026385408FE0, 16 bytes long.
Data: <P ßÖö > 50 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026385409B20, 16 bytes long.
Data: <0 ßÖö > 30 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026385409350, 16 bytes long.
Data: <à ßÖö > E0 02 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026385409260, 16 bytes long.
Data: < ßÖö > 10 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026385409080, 16 bytes long.
Data: <p ßÖö > 70 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026385408F40, 16 bytes long.
Data: < ÀÝÖö > 18 C0 DD D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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