Task 38670929
| Name | test_925-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9753_0 |
| Workunit | 31613153 |
| Created | 25 Oct 2026, 19:00:55 UTC |
| Sent | 25 Oct 2026, 19:00:57 UTC |
| Report deadline | 30 Oct 2026, 19:00:57 UTC |
| Received | 25 Oct 2026, 20:34:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652945 |
| Run time | 21 min 53 sec |
| CPU time | 20 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.48 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:13:13 (37016): wrapper (7.9.26016): starting
21:13:13 (37016): 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
21:13:14 (37016): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:13:14 (37016): 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\0\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\0\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
21:34:14 (37016): C:/Windows/system32/cmd.exe exited; CPU time 1214.750000
21:34:14 (37016): 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: 26251639 bytes.
Dumping objects ->
{3835496} normal block at 0x00000237C921B560, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835485} normal block at 0x00000237C921BA30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x00000237C921BE20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835463} normal block at 0x00000237C921B410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835452} normal block at 0x00000237C921B6B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835421} normal block at 0x00000237CAF8DD30, 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) : {3835408} normal block at 0x00000237C91F7710, 8 bytes long.
Data: < É7 > 00 00 1C C9 37 02 00 00
{3833971} normal block at 0x00000237C91F7A80, 8 bytes long.
Data: < é!É7 > 20 E9 21 C9 37 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000237C91EC7F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000237C91E67D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000237C91F1AA0, 16 bytes long.
Data: <¨¸#É7 > A8 B8 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000237C91F1A00, 16 bytes long.
Data: < ¸#É7 > 80 B8 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000237C923AC80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000237C91F14B0, 16 bytes long.
Data: <X¸#É7 > 58 B8 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000237C91F1460, 16 bytes long.
Data: <0¸#É7 > 30 B8 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000237C91F13C0, 16 bytes long.
Data: < ¸#É7 > 08 B8 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000237C91F1370, 16 bytes long.
Data: <à·#É7 > E0 B7 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000237C91F2E90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000237C91F19B0, 16 bytes long.
Data: <xk É7 > 78 6B 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000237C923AC20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000237C91F1A50, 16 bytes long.
Data: <Pk É7 > 50 6B 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000237C91F1960, 16 bytes long.
Data: <(k É7 > 28 6B 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000237C91F1910, 16 bytes long.
Data: < k É7 > 00 6B 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000237C91F1320, 16 bytes long.
Data: <Øj É7 > D8 6A 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000237C91F7C60, 16 bytes long.
Data: <°j É7 > B0 6A 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000237C91F7B70, 16 bytes long.
Data: < j É7 > 88 6A 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000237C923AEC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000237C91F79E0, 16 bytes long.
Data: <`j É7 > 60 6A 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000237C91F6A60, 320 bytes long.
Data: <ày É7 À®#É7 > E0 79 1F C9 37 02 00 00 C0 AE 23 C9 37 02 00 00
{281} normal block at 0x00000237C91F7990, 16 bytes long.
Data: <À·#É7 > C0 B7 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000237C91F7C10, 16 bytes long.
Data: < ·#É7 > 98 B7 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000237C923AE60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000237C91F7940, 16 bytes long.
Data: <p·#É7 > 70 B7 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000237C923AD40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000237C91F7850, 16 bytes long.
Data: <¸¶#É7 > B8 B6 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000237C91F7800, 16 bytes long.
Data: < ¶#É7 > 90 B6 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000237C91F76C0, 16 bytes long.
Data: <h¶#É7 > 68 B6 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000237C91F7A30, 16 bytes long.
Data: <@¶#É7 > 40 B6 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000237C91F7670, 16 bytes long.
Data: < ¶#É7 > 18 B6 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000237C91F7B20, 16 bytes long.
Data: <ðµ#É7 > F0 B5 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000237C91F7BC0, 16 bytes long.
Data: <°- É7 > B0 2D 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000237C91F2DB0, 40 bytes long.
Data: <À{ É7 0ÝøÊ7 > C0 7B 1F C9 37 02 00 00 30 DD F8 CA 37 02 00 00
{267} normal block at 0x00000237C91F7AD0, 16 bytes long.
Data: <е#É7 > D0 B5 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000237C91F75D0, 16 bytes long.
Data: <¨µ#É7 > A8 B5 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000237C923B160, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000237C91F7580, 16 bytes long.
Data: < µ#É7 > 80 B5 23 C9 37 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000237C923B580, 992 bytes long.
Data: < u É7 `±#É7 > 80 75 1F C9 37 02 00 00 60 B1 23 C9 37 02 00 00
{99} normal block at 0x00000237C91EFE80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000237C91F1190, 16 bytes long.
Data: <ð2 É7 > F0 32 1F C9 37 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000237C91F32F0, 40 bytes long.
Data: < É7 þ É7 > 90 11 1F C9 37 02 00 00 80 FE 1E C9 37 02 00 00
{76} normal block at 0x00000237C91F1780, 16 bytes long.
Data: < êõ³÷ > 80 EA F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000237C91F17D0, 16 bytes long.
Data: <@éõ³÷ > 40 E9 F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000237C91F1730, 16 bytes long.
Data: <øWò³÷ > F8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000237C91F10A0, 16 bytes long.
Data: <ØWò³÷ > D8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000237C91F1870, 16 bytes long.
Data: <P ò³÷ > 50 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000237C91F16E0, 16 bytes long.
Data: <0 ò³÷ > 30 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000237C91F1FA0, 16 bytes long.
Data: <à ò³÷ > E0 02 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000237C91F1690, 16 bytes long.
Data: < ò³÷ > 10 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000237C91F1F00, 16 bytes long.
Data: <p ò³÷ > 70 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000237C91F1640, 16 bytes long.
Data: < Àð³÷ > 18 C0 F0 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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