Task 38699390
| Name | test_886-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8701_0 |
| Workunit | 31639796 |
| Created | 4 Nov 2026, 5:05:20 UTC |
| Sent | 4 Nov 2026, 5:05:26 UTC |
| Report deadline | 9 Nov 2026, 5:05:26 UTC |
| Received | 4 Nov 2026, 7:55:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630239 |
| Run time | 2 hours 38 min 36 sec |
| CPU time | 2 hours 37 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.94 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:11:02 (16212): wrapper (7.9.26016): starting
14:11:02 (16212): 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
14:11:06 (16212): Library/usr/bin/tar.exe exited; CPU time 0.078125
14:11:06 (16212): 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\25\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\25\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
16:54:45 (16212): C:/Windows/system32/cmd.exe exited; CPU time 9478.906250
16:54:45 (16212): 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: 208469231 bytes.
Dumping objects ->
{3835559} normal block at 0x000002A423A9CC20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x000002A423A9C280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835537} normal block at 0x000002A421AF57D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835526} normal block at 0x000002A421AF56F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x000002A421AF5840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835484} normal block at 0x000002A423AEAE70, 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) : {3835471} normal block at 0x000002A421AEE0F0, 8 bytes long.
Data: < !¤ > 00 00 F0 21 A4 02 00 00
{3834073} normal block at 0x000002A421AEE230, 8 bytes long.
Data: <° h#¤ > B0 E3 68 23 A4 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002A421AF1BB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002A421AE7030, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000002A421AF6C00, 16 bytes long.
Data: < t¯!¤ > 18 74 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002A421AF69D0, 16 bytes long.
Data: < s¯!¤ > F0 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002A421AEF940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000002A421AF6CF0, 16 bytes long.
Data: <Ès¯!¤ > C8 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A421AF5FD0, 16 bytes long.
Data: < s¯!¤ > A0 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A421AF6390, 16 bytes long.
Data: <xs¯!¤ > 78 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A421AF67F0, 16 bytes long.
Data: <Ps¯!¤ > 50 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A421AF53E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000002A421AF67A0, 16 bytes long.
Data: <x¼­!¤ > 78 BC AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A421AF0180, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000002A421AF60C0, 16 bytes long.
Data: <P¼­!¤ > 50 BC AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A421AF6660, 16 bytes long.
Data: <(¼­!¤ > 28 BC AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A421AF6340, 16 bytes long.
Data: < ¼­!¤ > 00 BC AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A421AF62A0, 16 bytes long.
Data: <Ø»­!¤ > D8 BB AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A421AF6610, 16 bytes long.
Data: <°»­!¤ > B0 BB AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A421AF5F80, 16 bytes long.
Data: < »­!¤ > 88 BB AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A421AF0300, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000002A421AF68E0, 16 bytes long.
Data: <`»­!¤ > 60 BB AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A421ADBB60, 320 bytes long.
Data: < h¯!¤ ¯!¤ > E0 68 AF 21 A4 02 00 00 00 03 AF 21 A4 02 00 00
{280} normal block at 0x000002A421AF6700, 16 bytes long.
Data: <0s¯!¤ > 30 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A421AF6E30, 16 bytes long.
Data: < s¯!¤ > 08 73 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A421AEFCA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000002A421AF6CA0, 16 bytes long.
Data: < r¯!¤ > E0 72 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A421AEFE20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000002A421AF6840, 16 bytes long.
Data: <(r¯!¤ > 28 72 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A421AF66B0, 16 bytes long.
Data: < r¯!¤ > 00 72 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A421AF6DE0, 16 bytes long.
Data: <Øq¯!¤ > D8 71 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A421AF62F0, 16 bytes long.
Data: <°q¯!¤ > B0 71 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A421AF6C50, 16 bytes long.
Data: < q¯!¤ > 88 71 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A421AF65C0, 16 bytes long.
Data: <`q¯!¤ > 60 71 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A421AF6570, 16 bytes long.
Data: <PT¯!¤ > 50 54 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A421AF5450, 40 bytes long.
Data: <pe¯!¤ p®®#¤ > 70 65 AF 21 A4 02 00 00 70 AE AE 23 A4 02 00 00
{266} normal block at 0x000002A421AF6110, 16 bytes long.
Data: <@q¯!¤ > 40 71 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A421AF6070, 16 bytes long.
Data: < q¯!¤ > 18 71 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A421AEF8E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000002A421AF6AC0, 16 bytes long.
Data: < p¯!¤ > F0 70 AF 21 A4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A421AF70F0, 992 bytes long.
Data: <Àj¯!¤ ®!¤ > C0 6A AF 21 A4 02 00 00 E0 F8 AE 21 A4 02 00 00
{98} normal block at 0x000002A421AEFD00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002A421AEDAB0, 16 bytes long.
Data: <` ­!¤ > 60 EB AD 21 A4 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002A421ADEB60, 40 bytes long.
Data: <°Ú®!¤ ®!¤ > B0 DA AE 21 A4 02 00 00 00 FD AE 21 A4 02 00 00
{73} normal block at 0x000002A421AEDDD0, 16 bytes long.
Data: < 8? > 80 EA 38 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A421AEE050, 16 bytes long.
Data: <@ 8? > 40 E9 38 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A421AEE780, 16 bytes long.
Data: < W5? > F8 57 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A421AEDD80, 16 bytes long.
Data: <ØW5? > D8 57 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A421AEE730, 16 bytes long.
Data: <P 5? > 50 04 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A421AEDC40, 16 bytes long.
Data: <0 5? > 30 04 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A421AEE690, 16 bytes long.
Data: < 5? > E0 02 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A421AEE370, 16 bytes long.
Data: < 5? > 10 04 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A421AEDC90, 16 bytes long.
Data: <p 5? > 70 04 35 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A421AEE4B0, 16 bytes long.
Data: < À3? > 18 C0 33 3F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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