Task 38675443
| Name | test_182-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6584_1 |
| Workunit | 31617399 |
| Created | 26 Oct 2026, 8:17:03 UTC |
| Sent | 26 Oct 2026, 8:17:13 UTC |
| Report deadline | 31 Oct 2026, 8:17:13 UTC |
| Received | 26 Oct 2026, 8:37:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 19 min 27 sec |
| CPU time | 18 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.36 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:18:17 (37404): wrapper (7.9.26016): starting
09:18:17 (37404): 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
09:18:18 (37404): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:18:18 (37404): 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\1\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\1\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
09:37:11 (37404): C:/Windows/system32/cmd.exe exited; CPU time 1131.421875
09:37:11 (37404): 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: 24022873 bytes.
Dumping objects ->
{3835519} normal block at 0x00000213B0853080, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x00000213B0853240, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x00000213B08535C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x00000213B0852F30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x00000213B0853010, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x00000213B08FDB10, 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) : {3835431} normal block at 0x00000213AEBEE3C0, 8 bytes long.
Data: < \° > 00 00 5C B0 13 02 00 00
{3833967} normal block at 0x00000213AEBED8D0, 8 bytes long.
Data: <pGš° > 70 47 9A B0 13 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000213AEBF1820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000213AEBE64E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000213AEBF6AF0, 16 bytes long.
Data: <Øn¿® > D8 6E BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000213AEBF5D30, 16 bytes long.
Data: <°n¿® > B0 6E BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000213AEBEFBB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000213AEBF6AA0, 16 bytes long.
Data: < n¿® > 88 6E BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000213AEBF5F60, 16 bytes long.
Data: <`n¿® > 60 6E BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000213AEBF6640, 16 bytes long.
Data: <8n¿® > 38 6E BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000213AEBF66E0, 16 bytes long.
Data: < n¿® > 10 6E BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000213AEBF4630, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000213AEBF65F0, 16 bytes long.
Data: <øó½® > F8 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000213AEBF0150, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000213AEBF6A50, 16 bytes long.
Data: <Ðó½® > D0 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000213AEBF65A0, 16 bytes long.
Data: <¨ó½® > A8 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000213AEBF68C0, 16 bytes long.
Data: < ó½® > 80 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000213AEBF5EC0, 16 bytes long.
Data: <Xó½® > 58 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000213AEBF6140, 16 bytes long.
Data: <0ó½® > 30 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000213AEBF6230, 16 bytes long.
Data: < ó½® > 08 F3 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000213AEBEF850, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000213AEBF60F0, 16 bytes long.
Data: <àò½® > E0 F2 BD AE 13 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000213AEBDF2E0, 320 bytes long.
Data: <ð`¿® Pø¾® > F0 60 BF AE 13 02 00 00 50 F8 BE AE 13 02 00 00
{279} normal block at 0x00000213AEBF6050, 16 bytes long.
Data: <ðm¿® > F0 6D BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000213AEBF6320, 16 bytes long.
Data: <Èm¿® > C8 6D BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000213AEBF0090, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000213AEBF5CE0, 16 bytes long.
Data: < m¿® > A0 6D BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000213AEBEF550, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000213AEBF5C90, 16 bytes long.
Data: <èl¿® > E8 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000213AEBF5BF0, 16 bytes long.
Data: <Àl¿® > C0 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000213AEBF60A0, 16 bytes long.
Data: < l¿® > 98 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000213AEBF6B40, 16 bytes long.
Data: <pl¿® > 70 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000213AEBF64B0, 16 bytes long.
Data: <Hl¿® > 48 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000213AEBF6280, 16 bytes long.
Data: < l¿® > 20 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000213AEBF6460, 16 bytes long.
Data: < @¿® > 80 40 BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000213AEBF4080, 40 bytes long.
Data: <`d¿® Û ° > 60 64 BF AE 13 02 00 00 10 DB 8F B0 13 02 00 00
{265} normal block at 0x00000213AEBF6410, 16 bytes long.
Data: < l¿® > 00 6C BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000213AEBF62D0, 16 bytes long.
Data: <Øk¿® > D8 6B BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000213AEBEF9D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000213AEBF6A00, 16 bytes long.
Data: <°k¿® > B0 6B BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000213AEBF6BB0, 992 bytes long.
Data: < j¿® Ðù¾® > 00 6A BF AE 13 02 00 00 D0 F9 BE AE 13 02 00 00
{97} normal block at 0x00000213AEBEFEB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000213AEBEDE70, 16 bytes long.
Data: < D¿® > 00 44 BF AE 13 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000213AEBF4400, 40 bytes long.
Data: <pÞ¾® °þ¾® > 70 DE BE AE 13 02 00 00 B0 FE BE AE 13 02 00 00
{74} normal block at 0x00000213AEBEE640, 16 bytes long.
Data: < êT’ö > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000213AEBEDDD0, 16 bytes long.
Data: <@éT’ö > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000213AEBEE500, 16 bytes long.
Data: <øWQ’ö > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000213AEBED9C0, 16 bytes long.
Data: <ØWQ’ö > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000213AEBEDD80, 16 bytes long.
Data: <P Q’ö > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000213AEBEE1E0, 16 bytes long.
Data: <0 Q’ö > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000213AEBEE4B0, 16 bytes long.
Data: <à Q’ö > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000213AEBEDE20, 16 bytes long.
Data: < Q’ö > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000213AEBEE370, 16 bytes long.
Data: <p Q’ö > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000213AEBEE460, 16 bytes long.
Data: < ÀO’ö > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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