Task 38687301
| Name | test_410-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND0092_0 |
| Workunit | 31628694 |
| Created | 28 Oct 2026, 7:02:08 UTC |
| Sent | 28 Oct 2026, 7:02:12 UTC |
| Report deadline | 2 Nov 2026, 7:02:12 UTC |
| Received | 28 Oct 2026, 9:50:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649517 |
| Run time | 30 min 3 sec |
| CPU time | 28 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 692.98 MB |
| Peak swap size | 9.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:06:42 (73156): wrapper (7.9.26016): starting
08:06:42 (73156): 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
08:06:43 (73156): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:43 (73156): 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) : {3835140} normal block at 0x00000111CAA10980, 8 bytes long.
Data: < > 00 00 9E CA 11 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x00000111CC72E600, 1080 bytes long.
Data: <\ | > 5C 1A 01 00 CD CD CD CD 7C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000111CAA085F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:23:03 (24168): wrapper (7.9.26016): starting
08:23:03 (24168): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1472} normal block at 0x00000152960F91D0, 8 bytes long.
Data: < [ R > 00 00 5B 96 52 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x00000152960F7E00, 1080 bytes long.
Data: < S P > 8C 53 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
08:40:25 (20080): wrapper (7.9.26016): starting
08:40:25 (20080): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1472} normal block at 0x0000019781129EF0, 8 bytes long.
Data: < } > 00 00 7D 81 97 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x0000019781129750, 1080 bytes long.
Data: < P > B0 D9 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
09:10:30 (27128): wrapper (7.9.26016): starting
09:10:30 (27128): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1473} normal block at 0x0000020911709320, 8 bytes long.
Data: < j > 00 00 6A 11 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {319} normal block at 0x0000020911707FA0, 1080 bytes long.
Data: <p T > 70 C2 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
09:14:54 (51268): wrapper (7.9.26016): starting
09:14:54 (51268): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1473} normal block at 0x0000023CF175AAD0, 8 bytes long.
Data: < < > 00 00 DA F1 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {319} normal block at 0x0000023CF1759E30, 1080 bytes long.
Data: <@ h > 40 D2 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
10:26:48 (2384): wrapper (7.9.26016): starting
10:26:48 (2384): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1473} normal block at 0x0000015F9FBD8AF0, 8 bytes long.
Data: < _ > 00 00 B5 9F 5F 01 00 00
..\lib\diagnostics_win.cpp(417) : {319} normal block at 0x0000015F9FBD7F90, 1080 bytes long.
Data: < L > 0C EA 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
10:48:03 (1936): wrapper (7.9.26016): starting
10:48:03 (1936): 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
10:50:15 (1936): C:/Windows/system32/cmd.exe exited; CPU time 105.078125
10:50:15 (1936): 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: 4034554 bytes.
Dumping objects ->
{1561} normal block at 0x000001CC6F066960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x000001CC6F0669D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x000001CC6F066810, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1528} normal block at 0x000001CC6F066C00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1517} normal block at 0x000001CC6F066DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1486} normal block at 0x000001CC6F051990, 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) : {1473} normal block at 0x000001CC6F069430, 8 bytes long.
Data: < no > 00 00 6E 6F CC 01 00 00
{320} normal block at 0x000001CC6F069340, 8 bytes long.
Data: < o > C0 7F 06 6F CC 01 00 00
{311} normal block at 0x000001CC6F059880, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x000001CC6F068710, 16 bytes long.
Data: < o > 08 99 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001CC6F068C60, 16 bytes long.
Data: < o > E0 98 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001CC6F062170, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x000001CC6F069480, 16 bytes long.
Data: < o > B8 98 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001CC6F0690C0, 16 bytes long.
Data: < o > 90 98 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001CC6F069390, 16 bytes long.
Data: <h o > 68 98 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001CC6F0693E0, 16 bytes long.
Data: <@ o > 40 98 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001CC6F066D50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x000001CC6F0688F0, 16 bytes long.
Data: < o > 98 15 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001CC6F0624D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x000001CC6F068DA0, 16 bytes long.
Data: <p o > 70 15 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CC6F068940, 16 bytes long.
Data: <H o > 48 15 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CC6F0688A0, 16 bytes long.
Data: < o > 20 15 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CC6F0694D0, 16 bytes long.
Data: < o > F8 14 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CC6F068C10, 16 bytes long.
Data: < o > D0 14 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CC6F068EE0, 16 bytes long.
Data: < o > A8 14 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CC6F062470, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x000001CC6F068F30, 16 bytes long.
Data: < o > 80 14 05 6F CC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CC6F051480, 320 bytes long.
Data: <0 o p$ o > 30 8F 06 6F CC 01 00 00 70 24 06 6F CC 01 00 00
{290} normal block at 0x000001CC6F068B70, 16 bytes long.
Data: < o > 20 98 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CC6F0692F0, 16 bytes long.
Data: < o > F8 97 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CC6F0616F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x000001CC6F068620, 16 bytes long.
Data: < o > D0 97 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CC6F062410, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x000001CC6F069570, 16 bytes long.
Data: < o > 18 97 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CC6F069250, 16 bytes long.
Data: < o > F0 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CC6F0692A0, 16 bytes long.
Data: < o > C8 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CC6F068760, 16 bytes long.
Data: < o > A0 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CC6F068E90, 16 bytes long.
Data: <x o > 78 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CC6F068B20, 16 bytes long.
Data: <P o > 50 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CC6F068D50, 16 bytes long.
Data: < h o > F0 68 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CC6F0668F0, 40 bytes long.
Data: <P o o > 50 8D 06 6F CC 01 00 00 90 19 05 6F CC 01 00 00
{276} normal block at 0x000001CC6F068E40, 16 bytes long.
Data: <0 o > 30 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CC6F069110, 16 bytes long.
Data: < o > 08 96 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CC6F061BD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x000001CC6F0687B0, 16 bytes long.
Data: < o > E0 95 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CC6F0695E0, 992 bytes long.
Data: < o o > B0 87 06 6F CC 01 00 00 D0 1B 06 6F CC 01 00 00
{108} normal block at 0x000001CC6F061E10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x000001CC6F061390, 16 bytes long.
Data: < k o > 90 6B 06 6F CC 01 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x000001CC6F066B90, 40 bytes long.
Data: < o o > 90 13 06 6F CC 01 00 00 10 1E 06 6F CC 01 00 00
{85} normal block at 0x000001CC6F0612F0, 16 bytes long.
Data: < Z > 80 EA 86 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001CC6F061020, 16 bytes long.
Data: <@ Z > 40 E9 86 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001CC6F060760, 16 bytes long.
Data: < W Z > F8 57 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001CC6F060940, 16 bytes long.
Data: < W Z > D8 57 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001CC6F061340, 16 bytes long.
Data: <P Z > 50 04 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001CC6F060A30, 16 bytes long.
Data: <0 Z > 30 04 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001CC6F061200, 16 bytes long.
Data: < Z > E0 02 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001CC6F060A80, 16 bytes long.
Data: < Z > 10 04 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001CC6F061070, 16 bytes long.
Data: <p Z > 70 04 83 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001CC6F0611B0, 16 bytes long.
Data: < Z > 18 C0 81 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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