Task 38669643
| Name | test_451-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7452_0 |
| Workunit | 31611962 |
| Created | 25 Oct 2026, 15:10:56 UTC |
| Sent | 25 Oct 2026, 15:11:00 UTC |
| Report deadline | 30 Oct 2026, 15:11:00 UTC |
| Received | 25 Oct 2026, 17:10:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654625 |
| Run time | 28 min 41 sec |
| CPU time | 27 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,553.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.63 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:41:42 (31516): wrapper (7.9.26016): starting
16:41:42 (31516): 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
16:41:43 (31516): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:43 (31516): 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 'D:\Applications\BOINC\slots\2\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 'D:\Applications\BOINC\slots\2\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
17:09:01 (31516): C:/Windows/system32/cmd.exe exited; CPU time 1648.000000
17:09:01 (31516): 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: 32031129 bytes.
Dumping objects ->
{3835581} normal block at 0x000001D838FD77C0, 48 bytes long.
Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{3835570} normal block at 0x000001D838FD76E0, 48 bytes long.
Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{3835559} normal block at 0x000001D838FD7670, 48 bytes long.
Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69
{3835548} normal block at 0x000001D838FD7590, 48 bytes long.
Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{3835537} normal block at 0x000001D838FD7440, 48 bytes long.
Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63
{3835506} normal block at 0x000001D83ADBC140, 64 bytes long.
Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x000001D838FD24C0, 8 bytes long.
Data: < ú8Ø > 00 00 FA 38 D8 01 00 00
{3833963} normal block at 0x000001D838FD2100, 8 bytes long.
Data: <@èÌ:Ø > 40 E8 CC 3A D8 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D838FD3520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D838FC1E10, 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 0x000001D838FD7FF0, 16 bytes long.
Data: < Œý8Ø > 98 8C FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D838FD8040, 16 bytes long.
Data: <pŒý8Ø > 70 8C FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D838FD0340, 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 0x000001D838FD7C30, 16 bytes long.
Data: <HŒý8Ø > 48 8C FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D838FD8220, 16 bytes long.
Data: < Œý8Ø > 20 8C FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D838FD8900, 16 bytes long.
Data: <ø‹ý8Ø > F8 8B FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D838FD7CD0, 16 bytes long.
Data: <Ћý8Ø > D0 8B FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D838FD74B0, 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 0x000001D838FD88B0, 16 bytes long.
Data: <¨ ý8Ø > A8 17 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D838FD0220, 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 0x000001D838FD86D0, 16 bytes long.
Data: < ý8Ø > 80 17 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D838FD82C0, 16 bytes long.
Data: <X ý8Ø > 58 17 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D838FD7F00, 16 bytes long.
Data: <0 ý8Ø > 30 17 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D838FD8770, 16 bytes long.
Data: < ý8Ø > 08 17 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D838FD8720, 16 bytes long.
Data: <à ý8Ø > E0 16 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D838FD81D0, 16 bytes long.
Data: <¸ ý8Ø > B8 16 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D838FCFE60, 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 0x000001D838FD8810, 16 bytes long.
Data: < ý8Ø > 90 16 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D838FD1690, 320 bytes long.
Data: < ý8Ø `þü8Ø > 10 88 FD 38 D8 01 00 00 60 FE FC 38 D8 01 00 00
{277} normal block at 0x000001D838FD7E60, 16 bytes long.
Data: <°‹ý8Ø > B0 8B FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D838FD8680, 16 bytes long.
Data: < ‹ý8Ø > 88 8B FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D838FCF9E0, 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 0x000001D838FD8630, 16 bytes long.
Data: <`‹ý8Ø > 60 8B FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D838FD04C0, 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 0x000001D838FD80E0, 16 bytes long.
Data: <¨Šý8Ø > A8 8A FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D838FD8860, 16 bytes long.
Data: < Šý8Ø > 80 8A FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D838FD7BE0, 16 bytes long.
Data: <XŠý8Ø > 58 8A FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D838FD8450, 16 bytes long.
Data: <0Šý8Ø > 30 8A FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D838FD79B0, 16 bytes long.
Data: < Šý8Ø > 08 8A FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D838FD8400, 16 bytes long.
Data: <à‰ý8Ø > E0 89 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D838FD7F50, 16 bytes long.
Data: < rý8Ø > 10 72 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D838FD7210, 40 bytes long.
Data: <P ý8Ø @ÁÛ:Ø > 50 7F FD 38 D8 01 00 00 40 C1 DB 3A D8 01 00 00
{263} normal block at 0x000001D838FD8590, 16 bytes long.
Data: <À‰ý8Ø > C0 89 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D838FD7AA0, 16 bytes long.
Data: < ‰ý8Ø > 98 89 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D838FCFB60, 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 0x000001D838FD87C0, 16 bytes long.
Data: <p‰ý8Ø > 70 89 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D838FD8970, 992 bytes long.
Data: <À‡ý8Ø `ûü8Ø > C0 87 FD 38 D8 01 00 00 60 FB FC 38 D8 01 00 00
{95} normal block at 0x000001D838FCF7A0, 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 0x000001D838FD2560, 16 bytes long.
Data: < ý8Ø > 20 16 FD 38 D8 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001D838FD1620, 40 bytes long.
Data: <`%ý8Ø  ÷ü8Ø > 60 25 FD 38 D8 01 00 00 A0 F7 FC 38 D8 01 00 00
{72} normal block at 0x000001D838FD1F70, 16 bytes long.
Data: < êQBö > 80 EA 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D838FD2CE0, 16 bytes long.
Data: <@éQBö > 40 E9 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D838FD2970, 16 bytes long.
Data: <øWNBö > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D838FD2A60, 16 bytes long.
Data: <ØWNBö > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D838FD2880, 16 bytes long.
Data: <P NBö > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D838FD1ED0, 16 bytes long.
Data: <0 NBö > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D838FD1E30, 16 bytes long.
Data: <à NBö > E0 02 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D838FD26A0, 16 bytes long.
Data: < NBö > 10 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D838FD26F0, 16 bytes long.
Data: <p NBö > 70 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D838FD1F20, 16 bytes long.
Data: < ÀLBö > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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