Task 38658572
| Name | test_986-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7670_0 |
| Workunit | 31602148 |
| Created | 24 Oct 2026, 12:48:41 UTC |
| Sent | 24 Oct 2026, 13:48:18 UTC |
| Report deadline | 29 Oct 2026, 13:48:18 UTC |
| Received | 25 Oct 2026, 15:11:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607849 |
| Run time | 19 min 8 sec |
| CPU time | 18 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,485.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.72 MB |
| Peak swap size | 6.95 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:53:50 (7848): wrapper (7.9.26016): starting
15:53:50 (7848): 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
15:53:51 (7848): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:53:51 (7848): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835182} normal block at 0x000001777CAEE910, 8 bytes long.
Data: < |w > 00 00 AC 7C 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001777CB1DC50, 1080 bytes long.
Data: < e > 98 65 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001777CAEF0B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:52:07 (18732): wrapper (7.9.26016): starting
15:52:07 (18732): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
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
16:11:13 (18732): C:/Windows/system32/cmd.exe exited; CPU time 1090.296875
16:11:13 (18732): 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: 18602744 bytes.
Dumping objects ->
{1611} normal block at 0x0000020117F94E30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1600} normal block at 0x0000020117F94F10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x0000020117F95530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1578} normal block at 0x0000020117F94EA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1567} normal block at 0x0000020117F954C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1536} normal block at 0x0000020117F7F9E0, 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) : {1523} normal block at 0x0000020117F97340, 8 bytes long.
Data: < > 00 00 F6 17 01 02 00 00
{310} normal block at 0x0000020117F96B70, 8 bytes long.
Data: <`~ > 60 7E F9 17 01 02 00 00
{301} normal block at 0x0000020117F87560, 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 0x0000020117F96D00, 16 bytes long.
Data: <h} > 68 7D F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020117F97110, 16 bytes long.
Data: <@} > 40 7D F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020117F91870, 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 0x0000020117F970C0, 16 bytes long.
Data: < } > 18 7D F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020117F96DA0, 16 bytes long.
Data: < | > F0 7C F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020117F979D0, 16 bytes long.
Data: < | > C8 7C F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020117F97160, 16 bytes long.
Data: < | > A0 7C F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020117F94FF0, 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 0x0000020117F96AD0, 16 bytes long.
Data: < > F8 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020117F91210, 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 0x0000020117F97700, 16 bytes long.
Data: < > D0 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020117F972F0, 16 bytes long.
Data: < > A8 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020117F96FD0, 16 bytes long.
Data: < > 80 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020117F96CB0, 16 bytes long.
Data: <X > 58 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020117F975C0, 16 bytes long.
Data: <0 > 30 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020117F97250, 16 bytes long.
Data: < > 08 9F F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020117F91810, 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 0x0000020117F96C60, 16 bytes long.
Data: < > E0 9E F8 17 01 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020117F89EE0, 320 bytes long.
Data: <`l > 60 6C F9 17 01 02 00 00 10 18 F9 17 01 02 00 00
{280} normal block at 0x0000020117F97070, 16 bytes long.
Data: < | > 80 7C F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020117F973E0, 16 bytes long.
Data: <X| > 58 7C F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020117F91A50, 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 0x0000020117F977A0, 16 bytes long.
Data: <0| > 30 7C F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020117F91DB0, 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 0x0000020117F972A0, 16 bytes long.
Data: <x{ > 78 7B F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020117F96B20, 16 bytes long.
Data: <P{ > 50 7B F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020117F97570, 16 bytes long.
Data: <({ > 28 7B F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020117F97020, 16 bytes long.
Data: < { > 00 7B F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020117F96E90, 16 bytes long.
Data: < z > D8 7A F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020117F96C10, 16 bytes long.
Data: < z > B0 7A F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020117F96BC0, 16 bytes long.
Data: < S > E0 53 F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020117F953E0, 40 bytes long.
Data: < k > C0 6B F9 17 01 02 00 00 E0 F9 F7 17 01 02 00 00
{266} normal block at 0x0000020117F97390, 16 bytes long.
Data: < z > 90 7A F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020117F97430, 16 bytes long.
Data: <hz > 68 7A F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020117F91D50, 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 0x0000020117F96A80, 16 bytes long.
Data: <@z > 40 7A F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020117F97A40, 992 bytes long.
Data: < j P > 80 6A F9 17 01 02 00 00 50 1D F9 17 01 02 00 00
{98} normal block at 0x0000020117F912D0, 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 0x0000020117F8E920, 16 bytes long.
Data: <PT > 50 54 F9 17 01 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000020117F95450, 40 bytes long.
Data: < > 20 E9 F8 17 01 02 00 00 D0 12 F9 17 01 02 00 00
{75} normal block at 0x0000020117F8EA10, 16 bytes long.
Data: < 8 > 80 EA DA 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000020117F8EC90, 16 bytes long.
Data: <@ 8 > 40 E9 DA 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020117F8E240, 16 bytes long.
Data: < W 8 > F8 57 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020117F8ED30, 16 bytes long.
Data: < W 8 > D8 57 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020117F8E1F0, 16 bytes long.
Data: <P 8 > 50 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020117F8E1A0, 16 bytes long.
Data: <0 8 > 30 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020117F8E8D0, 16 bytes long.
Data: < 8 > E0 02 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020117F8EF60, 16 bytes long.
Data: < 8 > 10 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020117F8E880, 16 bytes long.
Data: <p 8 > 70 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020117F8E380, 16 bytes long.
Data: < 8 > 18 C0 D5 38 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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