Task 38684483
| Name | test_107-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5431_0 |
| Workunit | 31625996 |
| Created | 27 Oct 2026, 16:36:24 UTC |
| Sent | 27 Oct 2026, 16:36:31 UTC |
| Report deadline | 1 Nov 2026, 16:36:31 UTC |
| Received | 27 Oct 2026, 17:06:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 601046 |
| Run time | 28 min 10 sec |
| CPU time | 24 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.90 MB |
| Peak swap size | 8.50 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:38:15 (10884): wrapper (7.9.26016): starting
12:38:15 (10884): 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
12:38:16 (10884): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:38:16 (10884): 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\12\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\12\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
13:04:52 (10884): C:/Windows/system32/cmd.exe exited; CPU time 1490.687500
13:04:52 (10884): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 bytes in 8 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: 31071743 bytes.
Dumping objects ->
{3835236} normal block at 0x00000281E1A64C20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x00000281E1A65160, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x00000281E1A64BB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x00000281E1A64D00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x00000281E1A64AD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x00000281E37D7980, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x00000281E37EEF70, 103 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835147} normal block at 0x00000281E1A5F4F0, 8 bytes long.
Data: < ïá > 00 00 EF E1 81 02 00 00
{3834543} normal block at 0x00000281E37EF0D0, 103 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x00000281E1A5F720, 8 bytes long.
Data: <ÀÙ¤á > C0 D9 A4 E1 81 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000281E1A60CF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000281E1A56770, 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 0x00000281E1A65F50, 16 bytes long.
Data: <Èi¦á > C8 69 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000281E1A65F00, 16 bytes long.
Data: < i¦á > A0 69 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000281E1A60200, 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 0x00000281E1A65BE0, 16 bytes long.
Data: <xi¦á > 78 69 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000281E1A66450, 16 bytes long.
Data: <Pi¦á > 50 69 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000281E1A65AA0, 16 bytes long.
Data: <(i¦á > 28 69 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000281E1A66180, 16 bytes long.
Data: < i¦á > 00 69 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000281E1A64B40, 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 0x00000281E1A65EB0, 16 bytes long.
Data: <Øè¥á > D8 E8 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000281E1A60920, 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 0x00000281E1A66130, 16 bytes long.
Data: <°è¥á > B0 E8 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000281E1A665E0, 16 bytes long.
Data: < è¥á > 88 E8 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000281E1A65870, 16 bytes long.
Data: <`è¥á > 60 E8 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000281E1A663B0, 16 bytes long.
Data: <8è¥á > 38 E8 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000281E1A65960, 16 bytes long.
Data: < è¥á > 10 E8 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000281E1A65820, 16 bytes long.
Data: <èç¥á > E8 E7 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000281E1A60560, 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 0x00000281E1A65AF0, 16 bytes long.
Data: <Àç¥á > C0 E7 A5 E1 81 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000281E1A5E7C0, 320 bytes long.
Data: <ðZ¦á ` ¦á > F0 5A A6 E1 81 02 00 00 60 05 A6 E1 81 02 00 00
{275} normal block at 0x00000281E1A65E60, 16 bytes long.
Data: <àh¦á > E0 68 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000281E1A664A0, 16 bytes long.
Data: <¸h¦á > B8 68 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000281E1A60080, 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 0x00000281E1A657D0, 16 bytes long.
Data: < h¦á > 90 68 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000281E1A60860, 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 0x00000281E1A66400, 16 bytes long.
Data: <Øg¦á > D8 67 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000281E1A65C30, 16 bytes long.
Data: <°g¦á > B0 67 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000281E1A65910, 16 bytes long.
Data: < g¦á > 88 67 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000281E1A66590, 16 bytes long.
Data: <`g¦á > 60 67 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000281E1A65E10, 16 bytes long.
Data: <8g¦á > 38 67 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000281E1A65D70, 16 bytes long.
Data: < g¦á > 10 67 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000281E1A65780, 16 bytes long.
Data: <0O¦á > 30 4F A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000281E1A64F30, 40 bytes long.
Data: < W¦á y}ã > 80 57 A6 E1 81 02 00 00 80 79 7D E3 81 02 00 00
{261} normal block at 0x00000281E1A656E0, 16 bytes long.
Data: <ðf¦á > F0 66 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000281E1A65730, 16 bytes long.
Data: <Èf¦á > C8 66 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000281E1A60140, 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 0x00000281E1A65C80, 16 bytes long.
Data: < f¦á > A0 66 A6 E1 81 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000281E1A666A0, 992 bytes long.
Data: < \¦á @ ¦á > 80 5C A6 E1 81 02 00 00 40 01 A6 E1 81 02 00 00
{93} normal block at 0x00000281E1A600E0, 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 0x00000281E1A5F7C0, 16 bytes long.
Data: <°á¤á > B0 E1 A4 E1 81 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000281E1A4E1B0, 40 bytes long.
Data: <À÷¥á à ¦á > C0 F7 A5 E1 81 02 00 00 E0 00 A6 E1 81 02 00 00
{70} normal block at 0x00000281E1A5EE60, 16 bytes long.
Data: < ê„ ÷ > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000281E1A5EFF0, 16 bytes long.
Data: <@é„ ÷ > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000281E1A5F220, 16 bytes long.
Data: <øW ÷ > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000281E1A5F4A0, 16 bytes long.
Data: <ØW ÷ > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000281E1A5EFA0, 16 bytes long.
Data: <P ÷ > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000281E1A5F6D0, 16 bytes long.
Data: <0 ÷ > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000281E1A5EC80, 16 bytes long.
Data: <à ÷ > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000281E1A5EE10, 16 bytes long.
Data: < ÷ > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000281E1A5F8B0, 16 bytes long.
Data: <p ÷ > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000281E1A5F040, 16 bytes long.
Data: < À ÷ > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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