Task 38686469
| Name | test_69-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8622_0 |
| Workunit | 31627901 |
| Created | 28 Oct 2026, 2:44:37 UTC |
| Sent | 28 Oct 2026, 2:44:42 UTC |
| Report deadline | 2 Nov 2026, 2:44:42 UTC |
| Received | 28 Oct 2026, 3:27:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630739 |
| Run time | 41 min 6 sec |
| CPU time | 37 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.76 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 4.09 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:47:04 (26140): wrapper (7.9.26016): starting
22:47:04 (26140): 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
22:47:06 (26140): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:47:06 (26140): 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\28\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\28\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
23:26:24 (26140): C:/Windows/system32/cmd.exe exited; CPU time 2268.031250
23:26:24 (26140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 49189981 bytes.
Dumping objects ->
{3835284} normal block at 0x000001A6D474D3F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835273} normal block at 0x000001A6D2A14920, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000001A6D2A14840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835251} normal block at 0x000001A6D2A146F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x000001A6D2A14A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835209} normal block at 0x000001A6D4797BC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x000001A6D47AE7C0, 102 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) : {3835195} normal block at 0x000001A6D2A0FE80, 8 bytes long.
Data: < Ò¦ > 00 00 98 D2 A6 01 00 00
{3834571} normal block at 0x000001A6D47AE3A0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001A6D2A100B0, 8 bytes long.
Data: <p2 Ô¦ > 70 32 7F D4 A6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A6D2A063A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A6D2A07C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001A6D2A16020, 16 bytes long.
Data: <(g¡Ò¦ > 28 67 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A6D2A15AD0, 16 bytes long.
Data: < g¡Ò¦ > 00 67 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A6D2A11000, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001A6D2A159E0, 16 bytes long.
Data: <Øf¡Ò¦ > D8 66 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A6D2A16340, 16 bytes long.
Data: <°f¡Ò¦ > B0 66 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A6D2A158F0, 16 bytes long.
Data: < f¡Ò¦ > 88 66 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A6D2A16160, 16 bytes long.
Data: <`f¡Ò¦ > 60 66 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A6D2A14760, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001A6D2A15BC0, 16 bytes long.
Data: <   Ò¦ > 18 A0 A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A6D2A10A60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001A6D2A15A80, 16 bytes long.
Data: <ðŸ Ò¦ > F0 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A6D2A15DA0, 16 bytes long.
Data: <ÈŸ Ò¦ > C8 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A6D2A15E40, 16 bytes long.
Data: < Ÿ Ò¦ > A0 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A6D2A15850, 16 bytes long.
Data: <xŸ Ò¦ > 78 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A6D2A15EE0, 16 bytes long.
Data: <PŸ Ò¦ > 50 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A6D2A15B70, 16 bytes long.
Data: <(Ÿ Ò¦ > 28 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A6D2A11540, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001A6D2A162F0, 16 bytes long.
Data: < Ÿ Ò¦ > 00 9F A0 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A6D2A09F00, 320 bytes long.
Data: <ðb¡Ò¦ @ ¡Ò¦ > F0 62 A1 D2 A6 01 00 00 40 15 A1 D2 A6 01 00 00
{277} normal block at 0x000001A6D2A15940, 16 bytes long.
Data: <@f¡Ò¦ > 40 66 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A6D2A15D00, 16 bytes long.
Data: < f¡Ò¦ > 18 66 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A6D2A114E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001A6D2A15A30, 16 bytes long.
Data: <ðe¡Ò¦ > F0 65 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A6D2A10820, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001A6D2A157B0, 16 bytes long.
Data: <8e¡Ò¦ > 38 65 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A6D2A15620, 16 bytes long.
Data: < e¡Ò¦ > 10 65 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A6D2A15710, 16 bytes long.
Data: <èd¡Ò¦ > E8 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A6D2A15B20, 16 bytes long.
Data: <Àd¡Ò¦ > C0 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A6D2A16110, 16 bytes long.
Data: < d¡Ò¦ > 98 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A6D2A154E0, 16 bytes long.
Data: <pd¡Ò¦ > 70 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A6D2A15760, 16 bytes long.
Data: <pJ¡Ò¦ > 70 4A A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A6D2A14A70, 40 bytes long.
Data: <`W¡Ò¦ À{yÔ¦ > 60 57 A1 D2 A6 01 00 00 C0 7B 79 D4 A6 01 00 00
{263} normal block at 0x000001A6D2A15800, 16 bytes long.
Data: <Pd¡Ò¦ > 50 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A6D2A162A0, 16 bytes long.
Data: <(d¡Ò¦ > 28 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A6D2A10B20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001A6D2A156C0, 16 bytes long.
Data: < d¡Ò¦ > 00 64 A1 D2 A6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A6D2A16400, 992 bytes long.
Data: <ÀV¡Ò¦ ¡Ò¦ > C0 56 A1 D2 A6 01 00 00 20 0B A1 D2 A6 01 00 00
{95} normal block at 0x000001A6D2A11480, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001A6D2A0FAC0, 16 bytes long.
Data: <àáŸÒ¦ > E0 E1 9F D2 A6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001A6D29FE1E0, 40 bytes long.
Data: <Àú Ò¦ ¡Ò¦ > C0 FA A0 D2 A6 01 00 00 80 14 A1 D2 A6 01 00 00
{72} normal block at 0x000001A6D2A0F9D0, 16 bytes long.
Data: < êg[ö > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A6D2A0FE30, 16 bytes long.
Data: <@ég[ö > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A6D2A103D0, 16 bytes long.
Data: <øWd[ö > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A6D2A0F7F0, 16 bytes long.
Data: <ØWd[ö > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A6D2A102E0, 16 bytes long.
Data: <P d[ö > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A6D2A0FA70, 16 bytes long.
Data: <0 d[ö > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A6D2A0FFC0, 16 bytes long.
Data: <à d[ö > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A6D2A0FB10, 16 bytes long.
Data: < d[ö > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A6D2A105B0, 16 bytes long.
Data: <p d[ö > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A6D2A0FA20, 16 bytes long.
Data: < Àb[ö > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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