Task 38688857
| Name | test_452-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3426_0 |
| Workunit | 31630163 |
| Created | 28 Oct 2026, 16:32:57 UTC |
| Sent | 28 Oct 2026, 16:33:02 UTC |
| Report deadline | 2 Nov 2026, 16:33:02 UTC |
| Received | 28 Oct 2026, 17:52:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641444 |
| Run time | 26 min 31 sec |
| CPU time | 24 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.81 MB |
| Peak swap size | 5.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:22:15 (33420): wrapper (7.9.26016): starting
18:22:15 (33420): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x00000288FDA0D5D0, 8 bytes long.
Data: < > 00 00 FF FD 88 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x00000288FF5BE360, 1080 bytes long.
Data: <@$ > 40 24 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000288FDA11E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:25:03 (35148): wrapper (7.9.26016): starting
18:25:03 (35148): 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
18:25:05 (35148): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:25:05 (35148): 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 'D:\Boinc\slots\7\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 'D:\Boinc\slots\7\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.
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
18:51:34 (35148): C:/Windows/system32/cmd.exe exited; CPU time 1496.781250
18:51:34 (35148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 32713913 bytes.
Dumping objects ->
{1842} normal block at 0x0000020A1AFFF4C0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1831} normal block at 0x0000020A1AFFEB00, 32 bytes long.
Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1820} normal block at 0x0000020A1AFFEA40, 32 bytes long.
Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{1809} normal block at 0x0000020A1AFFF1C0, 32 bytes long.
Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1798} normal block at 0x0000020A1AFFE9E0, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{1767} normal block at 0x0000020A1AFFF920, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {1754} normal block at 0x0000020A1B0050F0, 8 bytes long.
Data: < D > 00 00 44 1B 0A 02 00 00
{309} normal block at 0x0000020A1B005E60, 8 bytes long.
Data: <PI > 50 49 00 1B 0A 02 00 00
{301} normal block at 0x0000020A1AFF5B00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000020A1B005730, 16 bytes long.
Data: < b > E8 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020A1B0054B0, 16 bytes long.
Data: < b > C0 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020A1AFFF220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000020A1B005460, 16 bytes long.
Data: < b > 98 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020A1B005E10, 16 bytes long.
Data: <pb > 70 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020A1B005C30, 16 bytes long.
Data: <Hb > 48 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020A1B0056E0, 16 bytes long.
Data: < b > 20 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020A1AFFF530, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000020A1B005230, 16 bytes long.
Data: <( > 28 F6 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020A1AFFEE00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000020A1B005DC0, 16 bytes long.
Data: < > 00 F6 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020A1B005960, 16 bytes long.
Data: < > D8 F5 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020A1B005690, 16 bytes long.
Data: < > B0 F5 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020A1B0053C0, 16 bytes long.
Data: < > 88 F5 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020A1B005370, 16 bytes long.
Data: <` > 60 F5 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020A1B0051E0, 16 bytes long.
Data: <8 > 38 F5 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020A1AFFEDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000020A1B0055F0, 16 bytes long.
Data: < > 10 F5 FE 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020A1AFEF510, 320 bytes long.
Data: < U > F0 55 00 1B 0A 02 00 00 A0 ED FF 1A 0A 02 00 00
{280} normal block at 0x0000020A1B005D70, 16 bytes long.
Data: < b > 00 62 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020A1B005D20, 16 bytes long.
Data: < a > D8 61 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020A1AFFEB60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000020A1B005320, 16 bytes long.
Data: < a > B0 61 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020A1AFFE500, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000020A1B005BE0, 16 bytes long.
Data: < ` > F8 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020A1B0055A0, 16 bytes long.
Data: < ` > D0 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020A1B005B90, 16 bytes long.
Data: < ` > A8 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020A1B005A50, 16 bytes long.
Data: < ` > 80 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020A1B005C80, 16 bytes long.
Data: <X` > 58 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020A1B005CD0, 16 bytes long.
Data: <0` > 30 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020A1B0052D0, 16 bytes long.
Data: < > 10 F6 FF 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020A1AFFF610, 40 bytes long.
Data: < R > D0 52 00 1B 0A 02 00 00 20 F9 FF 1A 0A 02 00 00
{266} normal block at 0x0000020A1B005B40, 16 bytes long.
Data: < ` > 10 60 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020A1B005550, 16 bytes long.
Data: < _ > E8 5F 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020A1AFFF280, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000020A1B005A00, 16 bytes long.
Data: < _ > C0 5F 00 1B 0A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020A1B005FC0, 992 bytes long.
Data: < Z > 00 5A 00 1B 0A 02 00 00 80 F2 FF 1A 0A 02 00 00
{98} normal block at 0x0000020A1AFFF160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000020A1AFFCE50, 16 bytes long.
Data: <P > 50 F4 FF 1A 0A 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000020A1AFFF450, 40 bytes long.
Data: <P ` > 50 CE FF 1A 0A 02 00 00 60 F1 FF 1A 0A 02 00 00
{75} normal block at 0x0000020A1AFFD4E0, 16 bytes long.
Data: < > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000020A1AFFD800, 16 bytes long.
Data: <@ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020A1AFFD990, 16 bytes long.
Data: < W > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020A1AFFCD10, 16 bytes long.
Data: < W > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020A1AFFCB80, 16 bytes long.
Data: <P > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020A1AFFCB30, 16 bytes long.
Data: <0 > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020A1AFFCC20, 16 bytes long.
Data: < > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020A1AFFD1C0, 16 bytes long.
Data: < > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020A1AFFD7B0, 16 bytes long.
Data: <p > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020A1AFFD440, 16 bytes long.
Data: < > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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