Task 38683842
| Name | test_850-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0323_0 |
| Workunit | 31625385 |
| Created | 27 Oct 2026, 13:34:40 UTC |
| Sent | 27 Oct 2026, 13:34:48 UTC |
| Report deadline | 1 Nov 2026, 13:34:48 UTC |
| Received | 27 Oct 2026, 17:33:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649517 |
| Run time | 33 min 6 sec |
| CPU time | 31 min 6 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 | 720.06 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:54:54 (45280): wrapper (7.9.26016): starting
15:54:54 (45280): 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
15:54:55 (45280): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:54:55 (45280): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835140} normal block at 0x00000242F0AD14E0, 8 bytes long.
Data: < B > 00 00 A4 F0 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x00000242F284AA60, 1080 bytes long.
Data: <@ > 40 DE 00 00 CD CD CD CD F4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000242F0ADB060, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:07:37 (59292): wrapper (7.9.26016): starting
16:07:37 (59292): 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) : {1472} normal block at 0x000002C0A2BB8D20, 8 bytes long.
Data: < > 00 00 06 A3 C0 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000002C0A2BB7E00, 1080 bytes long.
Data: < P > FC 0E 01 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
17:31:54 (22400): wrapper (7.9.26016): starting
17:31:54 (22400): 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 0x00000184B2A49D00, 8 bytes long.
Data: < > 00 00 06 B3 84 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x00000184B2A48980, 1080 bytes long.
Data: < L > F8 82 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
18:24:38 (2080): wrapper (7.9.26016): starting
18:24:38 (2080): 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
18:32:55 (2080): C:/Windows/system32/cmd.exe exited; CPU time 454.625000
18:32:55 (2080): 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: 15091298 bytes.
Dumping objects ->
{1560} normal block at 0x0000028E9C4A6650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x0000028E9C4A6B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x0000028E9C4A6810, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1527} normal block at 0x0000028E9C4A6A40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1516} normal block at 0x0000028E9C4A67A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1485} normal block at 0x0000028E9C4918D0, 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) : {1472} normal block at 0x0000028E9C4A8640, 8 bytes long.
Data: < A > 00 00 41 9C 8E 02 00 00
{319} normal block at 0x0000028E9C4A8C30, 8 bytes long.
Data: < ~J > 00 7E 4A 9C 8E 02 00 00
{310} normal block at 0x0000028E9C499A50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x0000028E9C4A8F50, 16 bytes long.
Data: <H J > 48 97 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000028E9C4A8A00, 16 bytes long.
Data: < J > 20 97 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000028E9C4A1B40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x0000028E9C4A8CD0, 16 bytes long.
Data: < J > F8 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000028E9C4A9090, 16 bytes long.
Data: < J > D0 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000028E9C4A8BE0, 16 bytes long.
Data: < J > A8 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000028E9C4A8AA0, 16 bytes long.
Data: < J > 80 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000028E9C4A69D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x0000028E9C4A90E0, 16 bytes long.
Data: < I > D8 14 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000028E9C4A1A80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x0000028E9C4A9130, 16 bytes long.
Data: < I > B0 14 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000028E9C4A8A50, 16 bytes long.
Data: < I > 88 14 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028E9C4A88C0, 16 bytes long.
Data: <` I > 60 14 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028E9C4A84B0, 16 bytes long.
Data: <8 I > 38 14 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028E9C4A8460, 16 bytes long.
Data: < I > 10 14 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028E9C4A9220, 16 bytes long.
Data: < I > E8 13 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028E9C4A1EA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x0000028E9C4A8DC0, 16 bytes long.
Data: < I > C0 13 49 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028E9C4913C0, 320 bytes long.
Data: < J J > C0 8D 4A 9C 8E 02 00 00 A0 1E 4A 9C 8E 02 00 00
{289} normal block at 0x0000028E9C4A8D70, 16 bytes long.
Data: <` J > 60 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028E9C4A8870, 16 bytes long.
Data: <8 J > 38 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028E9C4A1DE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x0000028E9C4A93B0, 16 bytes long.
Data: < J > 10 96 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028E9C4A1960, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x0000028E9C4A86E0, 16 bytes long.
Data: <X J > 58 95 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028E9C4A8820, 16 bytes long.
Data: <0 J > 30 95 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028E9C4A8D20, 16 bytes long.
Data: < J > 08 95 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028E9C4A87D0, 16 bytes long.
Data: < J > E0 94 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028E9C4A89B0, 16 bytes long.
Data: < J > B8 94 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028E9C4A9360, 16 bytes long.
Data: < J > 90 94 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028E9C4A8780, 16 bytes long.
Data: <0gJ > 30 67 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028E9C4A6730, 40 bytes long.
Data: < J I > 80 87 4A 9C 8E 02 00 00 D0 18 49 9C 8E 02 00 00
{275} normal block at 0x0000028E9C4A92C0, 16 bytes long.
Data: <p J > 70 94 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028E9C4A9040, 16 bytes long.
Data: <H J > 48 94 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028E9C4A17E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x0000028E9C4A85F0, 16 bytes long.
Data: < J > 20 94 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028E9C4A9420, 992 bytes long.
Data: < J J > F0 85 4A 9C 8E 02 00 00 E0 17 4A 9C 8E 02 00 00
{107} normal block at 0x0000028E9C4A1720, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x0000028E9C4A0990, 16 bytes long.
Data: < eJ > E0 65 4A 9C 8E 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000028E9C4A65E0, 40 bytes long.
Data: < J J > 90 09 4A 9C 8E 02 00 00 20 17 4A 9C 8E 02 00 00
{84} normal block at 0x0000028E9C4A08A0, 16 bytes long.
Data: < > 80 EA DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000028E9C4A0760, 16 bytes long.
Data: <@ > 40 E9 DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000028E9C4A1390, 16 bytes long.
Data: < W > F8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000028E9C4A10C0, 16 bytes long.
Data: < W > D8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000028E9C4A06C0, 16 bytes long.
Data: <P > 50 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000028E9C4A0670, 16 bytes long.
Data: <0 > 30 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000028E9C4A0E90, 16 bytes long.
Data: < > E0 02 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000028E9C4A0F30, 16 bytes long.
Data: < > 10 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000028E9C4A0AD0, 16 bytes long.
Data: <p > 70 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000028E9C4A1020, 16 bytes long.
Data: < > 18 C0 D8 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra