Task 38648901
| Name | test_638-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND8078_0 |
| Workunit | 31593581 |
| Created | 23 Oct 2026, 20:54:49 UTC |
| Sent | 24 Oct 2026, 3:10:10 UTC |
| Report deadline | 29 Oct 2026, 3:10:10 UTC |
| Received | 24 Oct 2026, 4:14:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 15 min 36 sec |
| CPU time | 14 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.16 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:52:34 (24588): wrapper (7.9.26016): starting
05:52:34 (24588): 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
05:52:35 (24588): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:52:35 (24588): 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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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.
06:01:14 (23604): wrapper (7.9.26016): starting
06:01:14 (23604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\Festplattenpogramme\Boinc\Boincy\slots\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
06:03:34 (26092): wrapper (7.9.26016): starting
06:03:34 (26092): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\Festplattenpogramme\Boinc\Boincy\slots\16\tmp already exists.
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
06:13:53 (26092): C:/Windows/system32/cmd.exe exited; CPU time 577.625000
06:13:53 (26092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
352 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: 12967302 bytes.
Dumping objects ->
{1925} normal block at 0x0000021CF9CFD3B0, 64 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1914} normal block at 0x0000021CF9CFE680, 64 bytes long.
Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1903} normal block at 0x0000021CF9CFE600, 64 bytes long.
Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74
{1892} normal block at 0x0000021CF9CFFEA0, 64 bytes long.
Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1881} normal block at 0x0000021CF9CFFE20, 64 bytes long.
Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C
{1850} normal block at 0x0000021CF9D06100, 80 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
..\api\boinc_api.cpp(309) : {1837} normal block at 0x0000021CF9D147F0, 8 bytes long.
Data: < > 00 00 0F FA 1C 02 00 00
{307} normal block at 0x0000021CF9D14A70, 8 bytes long.
Data: <0[ > 30 5B D1 F9 1C 02 00 00
{298} normal block at 0x0000021CF9D06460, 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 0x0000021CF9D14A20, 16 bytes long.
Data: <8Z > 38 5A D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021CF9D14F70, 16 bytes long.
Data: < Z > 10 5A D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021CF9D0FB30, 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 0x0000021CF9D153D0, 16 bytes long.
Data: < Y > E8 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021CF9D14F20, 16 bytes long.
Data: < Y > C0 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021CF9D14D90, 16 bytes long.
Data: < Y > 98 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021CF9D14D40, 16 bytes long.
Data: <pY > 70 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021CF9D14110, 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 0x0000021CF9D14930, 16 bytes long.
Data: < > D8 E7 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CF9D103D0, 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 0x0000021CF9D14840, 16 bytes long.
Data: < > B0 E7 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021CF9D148E0, 16 bytes long.
Data: < > 88 E7 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021CF9D154C0, 16 bytes long.
Data: <` > 60 E7 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CF9D151A0, 16 bytes long.
Data: <8 > 38 E7 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CF9D149D0, 16 bytes long.
Data: < > 10 E7 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CF9D15380, 16 bytes long.
Data: < > E8 E6 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021CF9D0FEF0, 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 0x0000021CF9D15330, 16 bytes long.
Data: < > C0 E6 D0 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021CF9D0E6C0, 320 bytes long.
Data: <0S > 30 53 D1 F9 1C 02 00 00 F0 FE D0 F9 1C 02 00 00
{277} normal block at 0x0000021CF9D15150, 16 bytes long.
Data: <PY > 50 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CF9D147A0, 16 bytes long.
Data: <(Y > 28 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021CF9D10610, 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 0x0000021CF9D15470, 16 bytes long.
Data: < Y > 00 59 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CF9D10670, 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 0x0000021CF9D14B60, 16 bytes long.
Data: <HX > 48 58 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CF9D152E0, 16 bytes long.
Data: < X > 20 58 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021CF9D14E80, 16 bytes long.
Data: < W > F8 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021CF9D14750, 16 bytes long.
Data: < W > D0 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021CF9D15100, 16 bytes long.
Data: < W > A8 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CF9D156A0, 16 bytes long.
Data: < W > 80 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021CF9D15240, 16 bytes long.
Data: < > > E0 3E D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021CF9D13EE0, 40 bytes long.
Data: <@R a > 40 52 D1 F9 1C 02 00 00 00 61 D0 F9 1C 02 00 00
{263} normal block at 0x0000021CF9D15010, 16 bytes long.
Data: <`W > 60 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CF9D14980, 16 bytes long.
Data: <8W > 38 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021CF9D10250, 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 0x0000021CF9D14890, 16 bytes long.
Data: < W > 10 57 D1 F9 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021CF9D15710, 992 bytes long.
Data: < H P > 90 48 D1 F9 1C 02 00 00 50 02 D1 F9 1C 02 00 00
{95} normal block at 0x0000021CF9D0FDD0, 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 0x0000021CF9D0ECE0, 16 bytes long.
Data: < > B0 DD CF F9 1C 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000021CF9CFDDB0, 40 bytes long.
Data: < > E0 EC D0 F9 1C 02 00 00 D0 FD D0 F9 1C 02 00 00
{72} normal block at 0x0000021CF9D0F730, 16 bytes long.
Data: < > 80 EA 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021CF9D0EC90, 16 bytes long.
Data: <@ > 40 E9 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021CF9D0EF10, 16 bytes long.
Data: < W > F8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021CF9D0F000, 16 bytes long.
Data: < W > D8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021CF9D0F8C0, 16 bytes long.
Data: <P > 50 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021CF9D0F320, 16 bytes long.
Data: <0 > 30 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021CF9D0EE70, 16 bytes long.
Data: < > E0 02 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021CF9D0EE20, 16 bytes long.
Data: < > 10 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021CF9D0F690, 16 bytes long.
Data: <p > 70 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021CF9D0F640, 16 bytes long.
Data: < > 18 C0 03 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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