Task 38684855
| Name | test_518-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8382_0 |
| Workunit | 31626356 |
| Created | 27 Oct 2026, 18:17:46 UTC |
| Sent | 27 Oct 2026, 18:17:48 UTC |
| Report deadline | 1 Nov 2026, 18:17:48 UTC |
| Received | 27 Oct 2026, 18:46:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641444 |
| Run time | 28 min 28 sec |
| CPU time | 25 min 8 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 | 733.73 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>
19:19:17 (14132): wrapper (7.9.26016): starting
19:19:17 (14132): 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
19:19:20 (14132): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:19:20 (14132): 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\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:\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
19:46:28 (14132): C:/Windows/system32/cmd.exe exited; CPU time 1508.906250
19:46:28 (14132): 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: 33473475 bytes.
Dumping objects ->
{3835502} normal block at 0x00000193FAED8980, 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 0x00000193FCAC5C70, 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 0x00000193FCAC5430, 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 0x00000193FCAC5AF0, 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 0x00000193FCAC5550, 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 0x00000193FAED81A0, 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 0x00000193FAEAD410, 8 bytes long.
Data: < äú“ > 00 00 E4 FA 93 01 00 00
{3833969} normal block at 0x00000193FAEACF60, 8 bytes long.
Data: < èøú“ > 90 E8 F8 FA 93 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000193FAEB1B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000193FAEA5800, 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 0x00000193FAEB5180, 16 bytes long.
Data: <h_ëú“ > 68 5F EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000193FAEB5900, 16 bytes long.
Data: <@_ëú“ > 40 5F EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000193FAEAEA90, 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 0x00000193FAEB52C0, 16 bytes long.
Data: < _ëú“ > 18 5F EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000193FAEB4FA0, 16 bytes long.
Data: <ð^ëú“ > F0 5E EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000193FAEB54F0, 16 bytes long.
Data: <È^ëú“ > C8 5E EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000193FAEB54A0, 16 bytes long.
Data: < ^ëú“ > A0 5E EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000193FAEAF700, 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 0x00000193FAEB59A0, 16 bytes long.
Data: <h¸éú“ > 68 B8 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000193FAEAE550, 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 0x00000193FAEB5630, 16 bytes long.
Data: <@¸éú“ > 40 B8 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000193FAEB56D0, 16 bytes long.
Data: < ¸éú“ > 18 B8 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000193FAEB59F0, 16 bytes long.
Data: <ð·éú“ > F0 B7 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000193FAEB5810, 16 bytes long.
Data: <È·éú“ > C8 B7 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000193FAEB50E0, 16 bytes long.
Data: < ·éú“ > A0 B7 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000193FAEB5AE0, 16 bytes long.
Data: <x·éú“ > 78 B7 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000193FAEAEBB0, 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 0x00000193FAEB5A90, 16 bytes long.
Data: <P·éú“ > 50 B7 E9 FA 93 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000193FAE9B750, 320 bytes long.
Data: < Zëú“ °ëêú“ > 90 5A EB FA 93 01 00 00 B0 EB EA FA 93 01 00 00
{280} normal block at 0x00000193FAEB5040, 16 bytes long.
Data: < ^ëú“ > 80 5E EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000193FAEB55E0, 16 bytes long.
Data: <X^ëú“ > 58 5E EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000193FAEAE490, 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 0x00000193FAEB4EB0, 16 bytes long.
Data: <0^ëú“ > 30 5E EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000193FAEAE7F0, 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 0x00000193FAEB5950, 16 bytes long.
Data: <x]ëú“ > 78 5D EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000193FAEB4FF0, 16 bytes long.
Data: <P]ëú“ > 50 5D EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000193FAEB5450, 16 bytes long.
Data: <(]ëú“ > 28 5D EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000193FAEB5090, 16 bytes long.
Data: < ]ëú“ > 00 5D EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000193FAEB4F50, 16 bytes long.
Data: <Ø\ëú“ > D8 5C EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000193FAEB5310, 16 bytes long.
Data: <°\ëú“ > B0 5C EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000193FAEB5540, 16 bytes long.
Data: <Àøêú“ > C0 F8 EA FA 93 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000193FAEAF8C0, 40 bytes long.
Data: <@Uëú“   íú“ > 40 55 EB FA 93 01 00 00 A0 81 ED FA 93 01 00 00
{266} normal block at 0x00000193FAEB4E60, 16 bytes long.
Data: < \ëú“ > 90 5C EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000193FAEB4F00, 16 bytes long.
Data: <h\ëú“ > 68 5C EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000193FAEAF210, 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 0x00000193FAEB57C0, 16 bytes long.
Data: <@\ëú“ > 40 5C EB FA 93 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000193FAEB5C40, 992 bytes long.
Data: <ÀWëú“ òêú“ > C0 57 EB FA 93 01 00 00 10 F2 EA FA 93 01 00 00
{98} normal block at 0x00000193FAEAEFD0, 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 0x00000193FAEACCE0, 16 bytes long.
Data: <Pøêú“ > 50 F8 EA FA 93 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000193FAEAF850, 40 bytes long.
Data: <àÌêú“ Ðïêú“ > E0 CC EA FA 93 01 00 00 D0 EF EA FA 93 01 00 00
{75} normal block at 0x00000193FAEAD190, 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 0x00000193FAEAD140, 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 0x00000193FAEACF10, 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 0x00000193FAEAD640, 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 0x00000193FAEACB50, 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 0x00000193FAEAD2D0, 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 0x00000193FAEAD320, 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 0x00000193FAEAD370, 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 0x00000193FAEAD690, 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 0x00000193FAEAD4B0, 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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