Task 38687534
| Name | test_875-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9650_0 |
| Workunit | 31628920 |
| Created | 28 Oct 2026, 8:20:23 UTC |
| Sent | 28 Oct 2026, 8:20:28 UTC |
| Report deadline | 2 Nov 2026, 8:20:28 UTC |
| Received | 28 Oct 2026, 8:49:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641444 |
| Run time | 28 min 7 sec |
| CPU time | 24 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.77 MB |
| Peak swap size | 5.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:21:48 (3360): wrapper (7.9.26016): starting
09:21:48 (3360): 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
09:21:51 (3360): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:21:51 (3360): 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:\Boinc\slots\13\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:\Boinc\slots\13\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
09:48:44 (3360): C:/Windows/system32/cmd.exe exited; CPU time 1485.281250
09:48:44 (3360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 32886345 bytes.
Dumping objects ->
{3835502} normal block at 0x00000289EF8787B0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835491} normal block at 0x00000289F1516010, 32 bytes long.
Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835480} normal block at 0x00000289F1515170, 32 bytes long.
Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3835469} normal block at 0x00000289F1515710, 32 bytes long.
Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835458} normal block at 0x00000289F1515530, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835427} normal block at 0x00000289EF878820, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x00000289EF84E6B0, 8 bytes long.
Data: < ï‰ > 00 00 7F EF 89 02 00 00
{3833969} normal block at 0x00000289EF84E390, 8 bytes long.
Data: < F…ï‰ > 90 46 85 EF 89 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000289EF8405A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000289EF83EB70, 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 0x00000289EF855160, 16 bytes long.
Data: <8`…ï‰ > 38 60 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000289EF8550C0, 16 bytes long.
Data: < `…ï‰ > 10 60 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000289EF84F420, 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 0x00000289EF855AC0, 16 bytes long.
Data: <è_…ï‰ > E8 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000289EF855020, 16 bytes long.
Data: <À_…ï‰ > C0 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000289EF8559D0, 16 bytes long.
Data: < _…ï‰ > 98 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000289EF855A70, 16 bytes long.
Data: <p_…ï‰ > 70 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000289EF850790, 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 0x00000289EF855930, 16 bytes long.
Data: <h¸ƒï‰ > 68 B8 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000289EF84F540, 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 0x00000289EF855520, 16 bytes long.
Data: <@¸ƒï‰ > 40 B8 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000289EF854DA0, 16 bytes long.
Data: < ¸ƒï‰ > 18 B8 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000289EF8558E0, 16 bytes long.
Data: <ð·ƒï‰ > F0 B7 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000289EF855890, 16 bytes long.
Data: <È·ƒï‰ > C8 B7 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000289EF855C00, 16 bytes long.
Data: < ·ƒï‰ > A0 B7 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000289EF854F30, 16 bytes long.
Data: <x·ƒï‰ > 78 B7 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000289EF84F7E0, 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 0x00000289EF855390, 16 bytes long.
Data: <P·ƒï‰ > 50 B7 83 EF 89 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000289EF83B750, 320 bytes long.
Data: < S…ï‰ à÷„ï‰ > 90 53 85 EF 89 02 00 00 E0 F7 84 EF 89 02 00 00
{280} normal block at 0x00000289EF855070, 16 bytes long.
Data: <P_…ï‰ > 50 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000289EF8557A0, 16 bytes long.
Data: <(_…ï‰ > 28 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000289EF84F8A0, 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 0x00000289EF855110, 16 bytes long.
Data: < _…ï‰ > 00 5F 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000289EF84FE40, 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 0x00000289EF855840, 16 bytes long.
Data: <H^…ï‰ > 48 5E 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000289EF854E90, 16 bytes long.
Data: < ^…ï‰ > 20 5E 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000289EF854DF0, 16 bytes long.
Data: <ø]…ï‰ > F8 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000289EF855700, 16 bytes long.
Data: <Ð]…ï‰ > D0 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000289EF855660, 16 bytes long.
Data: <¨]…ï‰ > A8 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000289EF8555C0, 16 bytes long.
Data: < ]…ï‰ > 80 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000289EF854F80, 16 bytes long.
Data: <@ …ï‰ > 40 0D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000289EF850D40, 40 bytes long.
Data: < O…ï‰ ‡ï‰ > 80 4F 85 EF 89 02 00 00 20 88 87 EF 89 02 00 00
{266} normal block at 0x00000289EF8556B0, 16 bytes long.
Data: <`]…ï‰ > 60 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000289EF854FD0, 16 bytes long.
Data: <8]…ï‰ > 38 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000289EF850020, 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 0x00000289EF8557F0, 16 bytes long.
Data: < ]…ï‰ > 10 5D 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000289EF855D10, 992 bytes long.
Data: <ðW…ï‰ …ï‰ > F0 57 85 EF 89 02 00 00 20 00 85 EF 89 02 00 00
{98} normal block at 0x00000289EF84FCC0, 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 0x00000289EF84E0C0, 16 bytes long.
Data: <p …ï‰ > 70 08 85 EF 89 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000289EF850870, 40 bytes long.
Data: <Àà„ï‰ Àü„ï‰ > C0 E0 84 EF 89 02 00 00 C0 FC 84 EF 89 02 00 00
{75} normal block at 0x00000289EF84E3E0, 16 bytes long.
Data: < êâ•÷ > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000289EF84E2F0, 16 bytes long.
Data: <@éâ•÷ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000289EF84E750, 16 bytes long.
Data: <øWß•÷ > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000289EF84D990, 16 bytes long.
Data: <ØWß•÷ > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000289EF84DDF0, 16 bytes long.
Data: <P ß•÷ > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000289EF84DF30, 16 bytes long.
Data: <0 ß•÷ > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000289EF84DBC0, 16 bytes long.
Data: <à ß•÷ > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000289EF84E2A0, 16 bytes long.
Data: < ß•÷ > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000289EF84DEE0, 16 bytes long.
Data: <p ß•÷ > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000289EF84DC60, 16 bytes long.
Data: < ÀÝ•÷ > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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