Task 38697270
| Name | test_828-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9915_0 |
| Workunit | 31637855 |
| Created | 1 Nov 2026, 11:53:53 UTC |
| Sent | 1 Nov 2026, 11:54:00 UTC |
| Report deadline | 6 Nov 2026, 11:54:00 UTC |
| Received | 1 Nov 2026, 12:07:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649326 |
| Run time | 12 min 45 sec |
| CPU time | 11 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 109,978.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.72 MB |
| Peak swap size | 4.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:54:43 (912): wrapper (7.9.26016): starting
11:54:43 (912): 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
11:54:44 (912): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:54:44 (912): 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
12:06:54 (912): C:/Windows/system32/cmd.exe exited; CPU time 669.484375
12:06:54 (912): 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: 13982297 bytes.
Dumping objects ->
{3835528} normal block at 0x00000227860090A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835517} normal block at 0x0000022786008EE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835506} normal block at 0x0000022786009340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835495} normal block at 0x0000022786008D20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835484} normal block at 0x0000022786008FC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835453} normal block at 0x0000022787BD3DF0, 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) : {3835440} normal block at 0x0000022785FDDC70, 8 bytes long.
Data: < 1†' > 00 00 31 86 27 02 00 00
{3833965} normal block at 0x0000022785FDDEF0, 8 bytes long.
Data: <àHƇ' > E0 48 C6 87 27 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022785FE2730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022785FCF140, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000022785FE59A0, 16 bytes long.
Data: <Øgþ…' > D8 67 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022785FE5590, 16 bytes long.
Data: <°gþ…' > B0 67 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022785FDF3B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000022785FE5A90, 16 bytes long.
Data: < gþ…' > 88 67 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022785FE6300, 16 bytes long.
Data: <`gþ…' > 60 67 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022785FE61C0, 16 bytes long.
Data: <8gþ…' > 38 67 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022785FE6030, 16 bytes long.
Data: < gþ…' > 10 67 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022785FE0270, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000022785FE5810, 16 bytes long.
Data: < ûü…' > 98 FB FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022785FDFE30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000022785FE5FE0, 16 bytes long.
Data: <pûü…' > 70 FB FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022785FE6170, 16 bytes long.
Data: <Hûü…' > 48 FB FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022785FE5C20, 16 bytes long.
Data: < ûü…' > 20 FB FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022785FE5F40, 16 bytes long.
Data: <øúü…' > F8 FA FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022785FE5F90, 16 bytes long.
Data: <Ðúü…' > D0 FA FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022785FE5BD0, 16 bytes long.
Data: <¨úü…' > A8 FA FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022785FDF950, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000022785FE5B30, 16 bytes long.
Data: < úü…' > 80 FA FC 85 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022785FCFA80, 320 bytes long.
Data: <0[þ…' Pùý…' > 30 5B FE 85 27 02 00 00 50 F9 FD 85 27 02 00 00
{278} normal block at 0x0000022785FE62B0, 16 bytes long.
Data: <ðfþ…' > F0 66 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022785FE6350, 16 bytes long.
Data: <Èfþ…' > C8 66 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022785FDF230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000022785FE5EF0, 16 bytes long.
Data: < fþ…' > A0 66 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022785FDFD10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000022785FE5770, 16 bytes long.
Data: <èeþ…' > E8 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022785FE6210, 16 bytes long.
Data: <Àeþ…' > C0 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022785FE6120, 16 bytes long.
Data: < eþ…' > 98 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022785FE60D0, 16 bytes long.
Data: <peþ…' > 70 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022785FE5EA0, 16 bytes long.
Data: <Heþ…' > 48 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022785FE5950, 16 bytes long.
Data: < eþ…' > 20 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022785FE59F0, 16 bytes long.
Data: <ð þ…' > F0 05 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022785FE05F0, 40 bytes long.
Data: <ðYþ…' ð=½‡' > F0 59 FE 85 27 02 00 00 F0 3D BD 87 27 02 00 00
{264} normal block at 0x0000022785FE5E00, 16 bytes long.
Data: < eþ…' > 00 65 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022785FE5B80, 16 bytes long.
Data: <Ødþ…' > D8 64 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022785FDFFB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000022785FE5720, 16 bytes long.
Data: <°dþ…' > B0 64 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022785FE64B0, 992 bytes long.
Data: < Wþ…' °ÿý…' > 20 57 FE 85 27 02 00 00 B0 FF FD 85 27 02 00 00
{96} normal block at 0x0000022785FDFF50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000022785FDD8B0, 16 bytes long.
Data: < þ…' > 90 01 FE 85 27 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000022785FE0190, 40 bytes long.
Data: <°Øý…' Pÿý…' > B0 D8 FD 85 27 02 00 00 50 FF FD 85 27 02 00 00
{73} normal block at 0x0000022785FDD2C0, 16 bytes long.
Data: < ê„w÷ > 80 EA 84 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022785FDD450, 16 bytes long.
Data: <@é„w÷ > 40 E9 84 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022785FDD590, 16 bytes long.
Data: <øW w÷ > F8 57 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022785FDD9A0, 16 bytes long.
Data: <ØW w÷ > D8 57 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022785FDD4A0, 16 bytes long.
Data: <P w÷ > 50 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022785FDD400, 16 bytes long.
Data: <0 w÷ > 30 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022785FDD7C0, 16 bytes long.
Data: <à w÷ > E0 02 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022785FDD950, 16 bytes long.
Data: < w÷ > 10 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022785FDDE50, 16 bytes long.
Data: <p w÷ > 70 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022785FDDB80, 16 bytes long.
Data: < À w÷ > 18 C0 7F 77 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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