Task 38650370
| Name | test_32-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND7887_0 |
| Workunit | 31594878 |
| Created | 23 Oct 2026, 23:19:54 UTC |
| Sent | 23 Oct 2026, 23:37:06 UTC |
| Report deadline | 28 Oct 2026, 23:37:06 UTC |
| Received | 24 Oct 2026, 9:34:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 52 min 59 sec |
| CPU time | 52 min 27 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 | 688.39 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>
02:45:14 (1476): wrapper (7.9.26016): starting
02:45:14 (1476): 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
02:45:16 (1476): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:45:16 (1476): 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.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835186} normal block at 0x000001C9FE9D7890, 8 bytes long.
Data: < > 00 00 94 FE C9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001C9FF479330, 1080 bytes long.
Data: < \ > B4 AE 00 00 CD CD CD CD 5C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001C9FE9E2AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:05:38 (37740): wrapper (7.9.26016): starting
11:05:38 (37740): 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 0x000001F314B43C70, 8 bytes long.
Data: < c > 00 00 63 16 F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001F314B44DC0, 1080 bytes long.
Data: < 5 H > A8 35 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:36:06 (35036): wrapper (7.9.26016): starting
11:36:06 (35036): 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
12:03:09 (35036): C:/Windows/system32/cmd.exe exited; CPU time 1564.250000
12:03:09 (35036): 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: 36908880 bytes.
Dumping objects ->
{1614} normal block at 0x0000026B2E11E3C0, 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 0x0000026B2E11E660, 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 0x0000026B2E11E350, 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 0x0000026B2E11E430, 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 0x0000026B2E11E5F0, 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 0x0000026B2E10C6A0, 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 0x0000026B2E1254B0, 8 bytes long.
Data: < .k > 00 00 08 2E 6B 02 00 00
{311} normal block at 0x0000026B2E124F10, 8 bytes long.
Data: < D .k > A0 44 12 2E 6B 02 00 00
{302} normal block at 0x0000026B2E10BFA0, 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 0x0000026B2E125410, 16 bytes long.
Data: < ] .k > E8 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000026B2E125500, 16 bytes long.
Data: < ] .k > C0 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000026B2E11D7D0, 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 0x0000026B2E1252D0, 16 bytes long.
Data: < ] .k > 98 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026B2E125370, 16 bytes long.
Data: <p] .k > 70 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026B2E124BF0, 16 bytes long.
Data: <H] .k > 48 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026B2E125280, 16 bytes long.
Data: < ] .k > 20 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026B2E11E4A0, 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 0x0000026B2E124D30, 16 bytes long.
Data: < .k > A8 D6 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026B2E11D890, 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 0x0000026B2E125050, 16 bytes long.
Data: < .k > 80 D6 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026B2E124B00, 16 bytes long.
Data: <X .k > 58 D6 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026B2E125460, 16 bytes long.
Data: <0 .k > 30 D6 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026B2E124C40, 16 bytes long.
Data: < .k > 08 D6 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026B2E125A50, 16 bytes long.
Data: < .k > E0 D5 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026B2E125690, 16 bytes long.
Data: < .k > B8 D5 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026B2E11D170, 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 0x0000026B2E1253C0, 16 bytes long.
Data: < .k > 90 D5 10 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026B2E10D590, 320 bytes long.
Data: < S .k p .k > C0 53 12 2E 6B 02 00 00 70 D1 11 2E 6B 02 00 00
{281} normal block at 0x0000026B2E125A00, 16 bytes long.
Data: < ] .k > 00 5D 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026B2E124CE0, 16 bytes long.
Data: < \ .k > D8 5C 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026B2E11D710, 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 0x0000026B2E125320, 16 bytes long.
Data: < \ .k > B0 5C 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026B2E11D530, 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 0x0000026B2E124BA0, 16 bytes long.
Data: < [ .k > F8 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026B2E1259B0, 16 bytes long.
Data: < [ .k > D0 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026B2E125190, 16 bytes long.
Data: < [ .k > A8 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026B2E125140, 16 bytes long.
Data: < [ .k > 80 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026B2E1255F0, 16 bytes long.
Data: <X[ .k > 58 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026B2E125230, 16 bytes long.
Data: <0[ .k > 30 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026B2E1250F0, 16 bytes long.
Data: < .k > 10 E5 11 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026B2E11E510, 40 bytes long.
Data: < P .k .k > F0 50 12 2E 6B 02 00 00 A0 C6 10 2E 6B 02 00 00
{267} normal block at 0x0000026B2E1250A0, 16 bytes long.
Data: < [ .k > 10 5B 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026B2E124B50, 16 bytes long.
Data: < Z .k > E8 5A 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026B2E11D3B0, 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 0x0000026B2E124E70, 16 bytes long.
Data: < Z .k > C0 5A 12 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026B2E125AC0, 992 bytes long.
Data: <pN .k .k > 70 4E 12 2E 6B 02 00 00 B0 D3 11 2E 6B 02 00 00
{99} normal block at 0x0000026B2E11DEF0, 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 0x0000026B2E119040, 16 bytes long.
Data: < .k > D0 E6 11 2E 6B 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000026B2E11E6D0, 40 bytes long.
Data: <@ .k .k > 40 90 11 2E 6B 02 00 00 F0 DE 11 2E 6B 02 00 00
{76} normal block at 0x0000026B2E118F50, 16 bytes long.
Data: < > 80 EA 03 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000026B2E118C80, 16 bytes long.
Data: <@ > 40 E9 03 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026B2E118F00, 16 bytes long.
Data: < W > F8 57 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026B2E1185F0, 16 bytes long.
Data: < W > D8 57 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026B2E118B40, 16 bytes long.
Data: <P > 50 04 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026B2E118AF0, 16 bytes long.
Data: <0 > 30 04 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026B2E118FF0, 16 bytes long.
Data: < > E0 02 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026B2E118CD0, 16 bytes long.
Data: < > 10 04 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026B2E118B90, 16 bytes long.
Data: <p > 70 04 00 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026B2E118C30, 16 bytes long.
Data: < > 18 C0 FE F2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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