Task 38655381
| Name | test_587-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND3453_0 |
| Workunit | 31599136 |
| Created | 24 Oct 2026, 9:33:58 UTC |
| Sent | 24 Oct 2026, 9:34:04 UTC |
| Report deadline | 29 Oct 2026, 9:34:04 UTC |
| Received | 24 Oct 2026, 11:31:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 51 min 55 sec |
| CPU time | 51 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.02 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:36:15 (27720): wrapper (7.9.26016): starting
12:36:15 (27720): 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
12:46:29 (5352): wrapper (7.9.26016): starting
12:46:29 (5352): 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
12:46:31 (5352): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:46:31 (5352): 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\2\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\2\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1525} normal block at 0x0000025668883B00, 8 bytes long.
Data: < }hV > 00 00 7D 68 56 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000025668884EE0, 1080 bytes long.
Data: <HN H > 48 4E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:53:37 (43752): wrapper (7.9.26016): starting
12:53:37 (43752): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x00000225B9674A10, 8 bytes long.
Data: < $ % > 00 00 24 BB 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000225B9675080, 1080 bytes long.
Data: < H > DC B1 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:58:24 (50960): wrapper (7.9.26016): starting
12:58:24 (50960): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x00000209F46748D0, 8 bytes long.
Data: < a > 00 00 61 F4 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000209F46734B0, 1080 bytes long.
Data: < P > 90 C8 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:07:09 (27048): wrapper (7.9.26016): starting
13:07:09 (27048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x0000024C11F73F20, 8 bytes long.
Data: < L > 00 00 A5 13 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000024C11F734B0, 1080 bytes long.
Data: <LG H > 4C 47 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:17:21 (22852): wrapper (7.9.26016): starting
13:17:21 (22852): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x0000029882AF3C90, 8 bytes long.
Data: < > 00 00 A9 82 98 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000029882AF5240, 1080 bytes long.
Data: < 2 \ > E8 32 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
13:30:51 (51808): wrapper (7.9.26016): starting
13:30:51 (51808): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001DFA7AB4120, 8 bytes long.
Data: < > 00 00 A5 A7 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DFA7AB4DC0, 1080 bytes long.
Data: < L > B8 C8 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
13:39:41 (15344): wrapper (7.9.26016): starting
13:39:41 (15344): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
14:30:47 (15344): C:/Windows/system32/cmd.exe exited; CPU time 2975.609375
14:30:47 (15344): 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: 71006912 bytes.
Dumping objects ->
{1614} normal block at 0x000002172E5BD940, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000002172E5BD8D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000002172E5BD780, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000002172E5BD7F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000002172E5BD710, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000002172E5AC4A0, 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) : {1526} normal block at 0x000002172E5C4050, 8 bytes long.
Data: < R. > 00 00 52 2E 17 02 00 00
{311} normal block at 0x000002172E5C4B90, 8 bytes long.
Data: <06\. > 30 36 5C 2E 17 02 00 00
{302} normal block at 0x000002172E5BEB40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000002172E5C49B0, 16 bytes long.
Data: <xO\. > 78 4F 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002172E5C48C0, 16 bytes long.
Data: <PO\. > 50 4F 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002172E5BCB40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000002172E5C4640, 16 bytes long.
Data: <(O\. > 28 4F 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002172E5C45F0, 16 bytes long.
Data: < O\. > 00 4F 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002172E5C45A0, 16 bytes long.
Data: < N\. > D8 4E 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002172E5C3E20, 16 bytes long.
Data: < N\. > B0 4E 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002172E5BD630, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002172E5C4550, 16 bytes long.
Data: < Z. > C8 C7 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002172E5BC3C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002172E5C4460, 16 bytes long.
Data: < Z. > A0 C7 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002172E5C4370, 16 bytes long.
Data: <x Z. > 78 C7 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002172E5C3E70, 16 bytes long.
Data: <P Z. > 50 C7 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002172E5C4320, 16 bytes long.
Data: <( Z. > 28 C7 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002172E5C4230, 16 bytes long.
Data: < Z. > 00 C7 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002172E5C41E0, 16 bytes long.
Data: < Z. > D8 C6 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002172E5BCAE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000002172E5C4870, 16 bytes long.
Data: < Z. > B0 C6 5A 2E 17 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002172E5AC6B0, 320 bytes long.
Data: <pH\. [. > 70 48 5C 2E 17 02 00 00 E0 CA 5B 2E 17 02 00 00
{281} normal block at 0x000002172E5C4190, 16 bytes long.
Data: < N\. > 90 4E 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002172E5C4280, 16 bytes long.
Data: <hN\. > 68 4E 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002172E5BC780, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002172E5C40A0, 16 bytes long.
Data: <@N\. > 40 4E 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002172E5BC420, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000002172E5C4410, 16 bytes long.
Data: < M\. > 88 4D 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002172E5C4000, 16 bytes long.
Data: <`M\. > 60 4D 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002172E5C4140, 16 bytes long.
Data: <8M\. > 38 4D 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002172E5C47D0, 16 bytes long.
Data: < M\. > 10 4D 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002172E5C4AA0, 16 bytes long.
Data: < L\. > E8 4C 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002172E5C4960, 16 bytes long.
Data: < L\. > C0 4C 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002172E5C3FB0, 16 bytes long.
Data: < [. > C0 D5 5B 2E 17 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002172E5BD5C0, 40 bytes long.
Data: < ?\. Z. > B0 3F 5C 2E 17 02 00 00 A0 C4 5A 2E 17 02 00 00
{267} normal block at 0x000002172E5C4500, 16 bytes long.
Data: < L\. > A0 4C 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002172E5C3C90, 16 bytes long.
Data: <xL\. > 78 4C 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002172E5BC900, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000002172E5C4B40, 16 bytes long.
Data: <PL\. > 50 4C 5C 2E 17 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002172E5C4C50, 992 bytes long.
Data: <@K\. [. > 40 4B 5C 2E 17 02 00 00 00 C9 5B 2E 17 02 00 00
{99} normal block at 0x000002172E5BC360, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002172E5B7BA0, 16 bytes long.
Data: < [. > B0 D2 5B 2E 17 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002172E5BD2B0, 40 bytes long.
Data: < {[. ` [. > A0 7B 5B 2E 17 02 00 00 60 C3 5B 2E 17 02 00 00
{76} normal block at 0x000002172E5B74C0, 16 bytes long.
Data: < F > 80 EA 46 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002172E5B7A60, 16 bytes long.
Data: <@ F > 40 E9 46 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002172E5B7DD0, 16 bytes long.
Data: < WC > F8 57 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002172E5B79C0, 16 bytes long.
Data: < WC > D8 57 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002172E5B7420, 16 bytes long.
Data: <P C > 50 04 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002172E5B7330, 16 bytes long.
Data: <0 C > 30 04 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002172E5B7D80, 16 bytes long.
Data: < C > E0 02 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002172E5B7C90, 16 bytes long.
Data: < C > 10 04 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002172E5B7290, 16 bytes long.
Data: <p C > 70 04 43 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002172E5B77E0, 16 bytes long.
Data: < A > 18 C0 41 CF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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