| Name | test_651-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND0657_0 |
| Workunit | 31592496 |
| Created | 23 Oct 2026, 20:20:15 UTC |
| Sent | 23 Oct 2026, 20:53:05 UTC |
| Report deadline | 28 Oct 2026, 20:53:05 UTC |
| Received | 24 Oct 2026, 2:22:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 13 min 46 sec |
| CPU time | 13 min 46 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 | 728.42 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 2.97 GB |
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:19:42 (38724): wrapper (7.9.26016): starting
02:19:42 (38724): 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
02:19:43 (38724): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:19:43 (38724): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835487} normal block at 0x0000020BDFC3F280, 8 bytes long.
Data: < " > 00 00 22 E0 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000020BDFC6DF40, 1080 bytes long.
Data: <| > 7C 95 00 00 CD CD CD CD 80 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020BDFC412A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:45:57 (26924): wrapper (7.9.26016): starting
03:45:57 (26924): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1834} normal block at 0x000001C496D369C0, 8 bytes long.
Data: < > 00 00 D0 96 C4 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001C496D34970, 1080 bytes long.
Data: < H > B0 0C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
03:51:41 (26448): wrapper (7.9.26016): starting
03:51:41 (26448): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1834} normal block at 0x0000020328AF5780, 8 bytes long.
Data: < ( > 00 00 F2 28 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000020328AF65C0, 1080 bytes long.
Data: < s 8 > 10 73 00 00 CD CD CD CD 38 01 00 00 00 00 00 00
Object dump complete.
04:00:48 (2580): wrapper (7.9.26016): starting
04:00:48 (2580): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1834} normal block at 0x00000239579362C0, 8 bytes long.
Data: < W9 > 00 00 E4 57 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000023957936930, 1080 bytes long.
Data: <Hy H > 48 79 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
04:10:40 (14160): wrapper (7.9.26016): starting
04:10:40 (14160): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1834} normal block at 0x000001F3935956E0, 8 bytes long.
Data: < > 00 00 9F 93 F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F3935965C0, 1080 bytes long.
Data: < H > 20 0C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
04:18:51 (34704): wrapper (7.9.26016): starting
04:18:51 (34704): 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
04:22:03 (34704): C:/Windows/system32/cmd.exe exited; CPU time 137.156250
04:22:03 (34704): 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: 4291364 bytes.
Dumping objects ->
{1922} normal block at 0x000001505340E3C0, 64 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1911} normal block at 0x000001505340D380, 64 bytes long.
Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1900} normal block at 0x000001505340D300, 64 bytes long.
Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74
{1889} normal block at 0x000001505341E740, 64 bytes long.
Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1878} normal block at 0x0000015053419040, 64 bytes long.
Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C
{1847} normal block at 0x0000015053416B00, 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) : {1834} normal block at 0x0000015053425CB0, 8 bytes long.
Data: < SP > 00 00 80 53 50 01 00 00
{304} normal block at 0x0000015053426160, 8 bytes long.
Data: < gBSP > 80 67 42 53 50 01 00 00
{295} normal block at 0x00000150534169E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000015053425B70, 16 bytes long.
Data: < fBSP > 88 66 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015053426110, 16 bytes long.
Data: <`fBSP > 60 66 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001505341FC80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000015053425B20, 16 bytes long.
Data: <8fBSP > 38 66 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015053425C60, 16 bytes long.
Data: < fBSP > 10 66 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015053425A30, 16 bytes long.
Data: < eBSP > E8 65 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000150534259E0, 16 bytes long.
Data: < eBSP > C0 65 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015053424CD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000015053425490, 16 bytes long.
Data: < ASP > D8 E6 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001505341FC20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000150534262A0, 16 bytes long.
Data: < ASP > B0 E6 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000150534260C0, 16 bytes long.
Data: < ASP > 88 E6 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015053425940, 16 bytes long.
Data: <` ASP > 60 E6 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015053425FD0, 16 bytes long.
Data: <8 ASP > 38 E6 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000150534257B0, 16 bytes long.
Data: < ASP > 10 E6 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000150534258A0, 16 bytes long.
Data: < ASP > E8 E5 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001505341FF20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000015053425850, 16 bytes long.
Data: < ASP > C0 E5 41 53 50 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001505341E5C0, 320 bytes long.
Data: <PXBSP ASP > 50 58 42 53 50 01 00 00 20 FF 41 53 50 01 00 00
{274} normal block at 0x00000150534256C0, 16 bytes long.
Data: < eBSP > A0 65 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015053426020, 16 bytes long.
Data: <xeBSP > 78 65 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015053420760, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000015053425800, 16 bytes long.
Data: <PeBSP > 50 65 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015053420640, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000015053425760, 16 bytes long.
Data: < dBSP > 98 64 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015053426070, 16 bytes long.
Data: <pdBSP > 70 64 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015053425670, 16 bytes long.
Data: <HdBSP > 48 64 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015053425F80, 16 bytes long.
Data: < dBSP > 20 64 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015053425C10, 16 bytes long.
Data: < cBSP > F8 63 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000150534253A0, 16 bytes long.
Data: < cBSP > D0 63 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015053425990, 16 bytes long.
Data: < KBSP > F0 4B 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015053424BF0, 40 bytes long.
Data: < YBSP kASP > 90 59 42 53 50 01 00 00 00 6B 41 53 50 01 00 00
{260} normal block at 0x0000015053425EE0, 16 bytes long.
Data: < cBSP > B0 63 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015053425D00, 16 bytes long.
Data: < cBSP > 88 63 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001505341FB60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000015053425AD0, 16 bytes long.
Data: <`cBSP > 60 63 42 53 50 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000015053426360, 992 bytes long.
Data: < ZBSP ` ASP > D0 5A 42 53 50 01 00 00 60 FB 41 53 50 01 00 00
{92} normal block at 0x00000150534200A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001505341EF30, 16 bytes long.
Data: < @SP > 10 C7 40 53 50 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001505340C710, 40 bytes long.
Data: <0 ASP BSP > 30 EF 41 53 50 01 00 00 A0 00 42 53 50 01 00 00
{69} normal block at 0x000001505341EA30, 16 bytes long.
Data: < > 80 EA A6 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001505341F520, 16 bytes long.
Data: <@ > 40 E9 A6 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001505341EBC0, 16 bytes long.
Data: < W > F8 57 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001505341EC60, 16 bytes long.
Data: < W > D8 57 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001505341F700, 16 bytes long.
Data: <P > 50 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001505341F6B0, 16 bytes long.
Data: <0 > 30 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001505341F480, 16 bytes long.
Data: < > E0 02 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001505341E990, 16 bytes long.
Data: < > 10 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001505341F7A0, 16 bytes long.
Data: <p > 70 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001505341F340, 16 bytes long.
Data: < > 18 C0 A1 EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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