Task 38696014
| Name | test_193-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6843_0 |
| Workunit | 31636675 |
| Created | 31 Oct 2026, 18:15:53 UTC |
| Sent | 31 Oct 2026, 18:15:56 UTC |
| Report deadline | 5 Nov 2026, 18:15:56 UTC |
| Received | 1 Nov 2026, 4:36:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652902 |
| Run time | 3 hours 18 min 18 sec |
| CPU time | 2 hours 57 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,472.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.63 MB |
| Peak swap size | 11.41 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:59:58 (20468): wrapper (7.9.26016): starting
22:59:58 (20468): 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
23:00:09 (20468): Library/usr/bin/tar.exe exited; CPU time 1.687500
23:00:09 (20468): 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\3\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\3\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) : {3835138} normal block at 0x00000194FDA2FC80, 8 bytes long.
Data: < > 00 00 E3 FD 94 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000194FDA5A380, 1080 bytes long.
Data: < L > 04 05 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000194FDA24240, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:11:25 (10156): wrapper (7.9.26016): starting
01:11:25 (10156): 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\3\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000020BF6CC66E0, 8 bytes long.
Data: < > 00 00 C9 F6 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000020BF6CC7610, 1080 bytes long.
Data: <,R L > 2C 52 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
01:18:06 (14316): wrapper (7.9.26016): starting
01:18:06 (14316): 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\3\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000207E6505310, 8 bytes long.
Data: < > 00 00 A8 E6 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000207E65061A0, 1080 bytes long.
Data: < & L > D4 26 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
02:06:04 (14680): wrapper (7.9.26016): starting
02:06:04 (14680): 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\3\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001A0BC8B5110, 8 bytes long.
Data: < > 00 00 83 BC A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001A0BC8B5DC0, 1080 bytes long.
Data: < T \ > 94 54 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
02:10:45 (18708): wrapper (7.9.26016): starting
02:10:45 (18708): 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\3\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001C23B335D90, 8 bytes long.
Data: < ; > 00 00 7F 3B C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001C23B336540, 1080 bytes long.
Data: <L` L > 4C 60 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
04:19:37 (22544): wrapper (7.9.26016): starting
04:19:37 (22544): 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\3\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
05:35:44 (22544): C:/Windows/system32/cmd.exe exited; CPU time 4229.000000
05:35:44 (22544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 73746196 bytes.
Dumping objects ->
{1573} normal block at 0x000001DEE6DA4610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1562} normal block at 0x000001DEE6DA48B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x000001DEE6DA4A00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1540} normal block at 0x000001DEE6DA4990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x000001DEE6DA4A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1498} normal block at 0x000001DEE6D8FA00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x000001DEE6D8ED80, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001DEE6DA56E0, 8 bytes long.
Data: < > 00 00 D2 E6 DE 01 00 00
{887} normal block at 0x000001DEE6D8B880, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x000001DEE6DA5140, 8 bytes long.
Data: < e > 20 65 DA E6 DE 01 00 00
{296} normal block at 0x000001DEE6D96D10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001DEE6DA5500, 16 bytes long.
Data: <(d > 28 64 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DEE6DA5780, 16 bytes long.
Data: < d > 00 64 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DEE6DA0770, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001DEE6DA54B0, 16 bytes long.
Data: < c > D8 63 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DEE6DA5FA0, 16 bytes long.
Data: < c > B0 63 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DEE6DA5C80, 16 bytes long.
Data: < c > 88 63 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DEE6DA5370, 16 bytes long.
Data: <`c > 60 63 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DEE6DA4BC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001DEE6DA55A0, 16 bytes long.
Data: < > F8 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DEE6DA1010, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001DEE6DA5320, 16 bytes long.
Data: < > D0 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DEE6DA5410, 16 bytes long.
Data: < > A8 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DEE6DA6090, 16 bytes long.
Data: < > 80 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DEE6DA5690, 16 bytes long.
Data: <X > 58 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DEE6DA5820, 16 bytes long.
Data: <0 > 30 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DEE6DA5E60, 16 bytes long.
Data: < > 08 9E D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DEE6DA1250, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001DEE6DA53C0, 16 bytes long.
Data: < > E0 9D D9 E6 DE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DEE6D99DE0, 320 bytes long.
Data: < S P > C0 53 DA E6 DE 01 00 00 50 12 DA E6 DE 01 00 00
{275} normal block at 0x000001DEE6DA5910, 16 bytes long.
Data: <@c > 40 63 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DEE6DA5A00, 16 bytes long.
Data: < c > 18 63 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DEE6DA08F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001DEE6DA52D0, 16 bytes long.
Data: < b > F0 62 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DEE6DA0890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001DEE6DA5BE0, 16 bytes long.
Data: <8b > 38 62 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DEE6DA5E10, 16 bytes long.
Data: < b > 10 62 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DEE6DA5230, 16 bytes long.
Data: < a > E8 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DEE6DA5280, 16 bytes long.
Data: < a > C0 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DEE6DA5870, 16 bytes long.
Data: < a > 98 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DEE6DA5D20, 16 bytes long.
Data: <pa > 70 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DEE6DA5640, 16 bytes long.
Data: < G > D0 47 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DEE6DA47D0, 40 bytes long.
Data: <@V > 40 56 DA E6 DE 01 00 00 00 FA D8 E6 DE 01 00 00
{261} normal block at 0x000001DEE6DA5B90, 16 bytes long.
Data: <Pa > 50 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DEE6DA5730, 16 bytes long.
Data: <(a > 28 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DEE6DA1490, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001DEE6DA5DC0, 16 bytes long.
Data: < a > 00 61 DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DEE6DA6100, 992 bytes long.
Data: < ] > C0 5D DA E6 DE 01 00 00 90 14 DA E6 DE 01 00 00
{93} normal block at 0x000001DEE6DA1130, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001DEE6D9FC20, 16 bytes long.
Data: <PK > 50 4B DA E6 DE 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001DEE6DA4B50, 40 bytes long.
Data: < 0 > 20 FC D9 E6 DE 01 00 00 30 11 DA E6 DE 01 00 00
{70} normal block at 0x000001DEE6D9FAE0, 16 bytes long.
Data: < > > 80 EA 3E 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DEE6D9F7C0, 16 bytes long.
Data: <@ > > 40 E9 3E 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DEE6DA04E0, 16 bytes long.
Data: < W; > F8 57 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DEE6D9F770, 16 bytes long.
Data: < W; > D8 57 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DEE6D9FA40, 16 bytes long.
Data: <P ; > 50 04 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DEE6D9F9F0, 16 bytes long.
Data: <0 ; > 30 04 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DEE6DA0490, 16 bytes long.
Data: < ; > E0 02 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DEE6DA0030, 16 bytes long.
Data: < ; > 10 04 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DEE6D9FEA0, 16 bytes long.
Data: <p ; > 70 04 3B 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DEE6DA02B0, 16 bytes long.
Data: < 9 > 18 C0 39 09 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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