Task 38659680
| Name | test_539-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND6424_0 |
| Workunit | 31603220 |
| Created | 24 Oct 2026, 13:33:32 UTC |
| Sent | 24 Oct 2026, 13:39:49 UTC |
| Report deadline | 29 Oct 2026, 13:39:49 UTC |
| Received | 24 Oct 2026, 21:39:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646373 |
| Run time | 31 min 11 sec |
| CPU time | 29 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.87 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:18:44 (16224): wrapper (7.9.26016): starting
14:18:44 (16224): 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
14:18:45 (16224): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:45 (16224): 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\31\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\31\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) : {3835426} normal block at 0x0000021996C7EC30, 8 bytes long.
Data: < > 00 00 08 97 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000219989B4620, 1080 bytes long.
Data: <TW > 54 57 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021996C80700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:47:57 (436): wrapper (7.9.26016): starting
14:47:57 (436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1772} normal block at 0x000001D14E1F54D0, 8 bytes long.
Data: < sN > 00 00 73 4E D1 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001D14E1F6540, 1080 bytes long.
Data: < [ H > 8C 5B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:52:42 (18368): wrapper (7.9.26016): starting
14:52:42 (18368): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1772} normal block at 0x0000024CDD5A5520, 8 bytes long.
Data: < L > 00 00 A7 DD 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000024CDD5A6540, 1080 bytes long.
Data: < H > 08 0B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:10:04 (23620): wrapper (7.9.26016): starting
15:10:04 (23620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1772} normal block at 0x000002367D9C6DA0, 8 bytes long.
Data: < }6 > 00 00 DD 7D 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002367D9C7370, 1080 bytes long.
Data: <t H > 74 1F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:15:38 (19356): wrapper (7.9.26016): starting
15:15:38 (19356): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1772} normal block at 0x0000013E39855FC0, 8 bytes long.
Data: < .;> > 00 00 2E 3B 3E 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000013E39856540, 1080 bytes long.
Data: < K X > BC 4B 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
15:51:44 (14508): wrapper (7.9.26016): starting
15:51:44 (14508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1772} normal block at 0x0000012BA99358E0, 8 bytes long.
Data: < + > 00 00 C5 A9 2B 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000012BA9936540, 1080 bytes long.
Data: <8 H > 38 1F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:56:38 (17808): wrapper (7.9.26016): starting
15:56:38 (17808): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1772} normal block at 0x0000028C96AA60B0, 8 bytes long.
Data: < Y > 00 00 59 98 8C 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000028C96AA6540, 1080 bytes long.
Data: << H > 3C 10 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:49:26 (22064): wrapper (7.9.26016): starting
16:49:26 (22064): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\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
16:55:33 (22064): C:/Windows/system32/cmd.exe exited; CPU time 333.453125
16:55:33 (22064): 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: 6029079 bytes.
Dumping objects ->
{1860} normal block at 0x000002B41E1968E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1849} normal block at 0x000002B41E196870, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1838} normal block at 0x000002B41E196410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1827} normal block at 0x000002B41E196640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1816} normal block at 0x000002B41E1966B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1785} normal block at 0x000002B41E17EF00, 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) : {1772} normal block at 0x000002B41E197230, 8 bytes long.
Data: < a > 00 00 61 1E B4 02 00 00
{305} normal block at 0x000002B41E197730, 8 bytes long.
Data: < > B0 81 19 1E B4 02 00 00
{296} normal block at 0x000002B41E185E10, 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 0x000002B41E1970A0, 16 bytes long.
Data: < > B8 80 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B41E1973C0, 16 bytes long.
Data: < > 90 80 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B41E190070, 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 0x000002B41E1979B0, 16 bytes long.
Data: <h > 68 80 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B41E197BE0, 16 bytes long.
Data: <@ > 40 80 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B41E196FB0, 16 bytes long.
Data: < > 18 80 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B41E196E20, 16 bytes long.
Data: < > F0 7F 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B41E196950, 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 0x000002B41E196F60, 16 bytes long.
Data: < > C8 8D 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B41E190010, 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 0x000002B41E197320, 16 bytes long.
Data: < > A0 8D 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B41E197AA0, 16 bytes long.
Data: <x > 78 8D 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B41E197460, 16 bytes long.
Data: <P > 50 8D 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B41E197280, 16 bytes long.
Data: <( > 28 8D 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B41E196EC0, 16 bytes long.
Data: < > 00 8D 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B41E1972D0, 16 bytes long.
Data: < > D8 8C 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B41E190130, 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 0x000002B41E197D20, 16 bytes long.
Data: < > B0 8C 18 1E B4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B41E188CB0, 320 bytes long.
Data: < } 0 > 20 7D 19 1E B4 02 00 00 30 01 19 1E B4 02 00 00
{275} normal block at 0x000002B41E1974B0, 16 bytes long.
Data: < > D0 7F 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B41E197CD0, 16 bytes long.
Data: < > A8 7F 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B41E18FA70, 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 0x000002B41E196F10, 16 bytes long.
Data: < > 80 7F 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B41E18FCB0, 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 0x000002B41E197820, 16 bytes long.
Data: < ~ > C8 7E 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B41E196E70, 16 bytes long.
Data: < ~ > A0 7E 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B41E197500, 16 bytes long.
Data: <x~ > 78 7E 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B41E197960, 16 bytes long.
Data: <P~ > 50 7E 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B41E197A50, 16 bytes long.
Data: <(~ > 28 7E 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B41E197C30, 16 bytes long.
Data: < ~ > 00 7E 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B41E197B90, 16 bytes long.
Data: < h > 00 68 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B41E196800, 40 bytes long.
Data: < { > 90 7B 19 1E B4 02 00 00 00 EF 17 1E B4 02 00 00
{261} normal block at 0x000002B41E197370, 16 bytes long.
Data: < } > E0 7D 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B41E197000, 16 bytes long.
Data: < } > B8 7D 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B41E18FC50, 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 0x000002B41E197410, 16 bytes long.
Data: < } > 90 7D 19 1E B4 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B41E197D90, 992 bytes long.
Data: < t P > 10 74 19 1E B4 02 00 00 50 FC 18 1E B4 02 00 00
{93} normal block at 0x000002B41E18FF50, 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 0x000002B41E18EB90, 16 bytes long.
Data: < > 90 EE 17 1E B4 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002B41E17EE90, 40 bytes long.
Data: < P > 90 EB 18 1E B4 02 00 00 50 FF 18 1E B4 02 00 00
{70} normal block at 0x000002B41E18E9B0, 16 bytes long.
Data: < x > 80 EA E5 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B41E18EA00, 16 bytes long.
Data: <@ x > 40 E9 E5 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B41E18E730, 16 bytes long.
Data: < W x > F8 57 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B41E18E820, 16 bytes long.
Data: < W x > D8 57 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B41E18E4B0, 16 bytes long.
Data: <P x > 50 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B41E18E640, 16 bytes long.
Data: <0 x > 30 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B41E18E550, 16 bytes long.
Data: < x > E0 02 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B41E18F310, 16 bytes long.
Data: < x > 10 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B41E18EB40, 16 bytes long.
Data: <p x > 70 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B41E18EE60, 16 bytes long.
Data: < x > 18 C0 E0 78 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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