Task 38655070
| Name | test_207-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4008_0 |
| Workunit | 31598850 |
| Created | 24 Oct 2026, 8:21:29 UTC |
| Sent | 24 Oct 2026, 8:22:09 UTC |
| Report deadline | 29 Oct 2026, 8:22:09 UTC |
| Received | 24 Oct 2026, 10:35:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593343 |
| Run time | 59 min 45 sec |
| CPU time | 56 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.30 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:36:15 (64952): wrapper (7.9.26016): starting
17:36:15 (64952): 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
17:36:16 (64952): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:36:16 (64952): 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 'E:\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 'E:\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) : {3835532} normal block at 0x000001C72ADCC4E0, 8 bytes long.
Data: < + > 00 00 1D 2B C7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834052} normal block at 0x000001C72CDE4AD0, 1080 bytes long.
Data: < l > 04 C2 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C72ADD3B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:48:36 (57496): wrapper (7.9.26016): starting
18:48:36 (57496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
19:33:14 (57496): C:/Windows/system32/cmd.exe exited; CPU time 2634.437500
19:33:14 (57496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 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: 57318682 bytes.
Dumping objects ->
{1873} normal block at 0x000002C28DB3A690, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1862} normal block at 0x000002C28DB3A230, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1851} normal block at 0x000002C28DB3A150, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{1840} normal block at 0x000002C28DB3A5B0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1829} normal block at 0x000002C28DB3A0E0, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{1798} normal block at 0x000002C28DB2B740, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1787} normal block at 0x000002C28DB27DD0, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1784} normal block at 0x000002C28DB3E380, 8 bytes long.
Data: < > 00 00 AE 8D C2 02 00 00
{1038} normal block at 0x000002C28DB39F80, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x000002C28DB3E6A0, 8 bytes long.
Data: <@ > 40 FB B3 8D C2 02 00 00
{296} normal block at 0x000002C28DB2A150, 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 0x000002C28DB3ED30, 16 bytes long.
Data: < > A8 F2 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C28DB3E8D0, 16 bytes long.
Data: < > 80 F2 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C28DB38DA0, 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 0x000002C28DB3EBF0, 16 bytes long.
Data: <X > 58 F2 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C28DB3E790, 16 bytes long.
Data: <0 > 30 F2 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C28DB3E6F0, 16 bytes long.
Data: < > 08 F2 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C28DB3EA60, 16 bytes long.
Data: < > E0 F1 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C28DB3A770, 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 0x000002C28DB3E650, 16 bytes long.
Data: <H > 48 B3 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C28DB38920, 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 0x000002C28DB3E600, 16 bytes long.
Data: < > 20 B3 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C28DB3E470, 16 bytes long.
Data: < > F8 B2 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C28DB3E2E0, 16 bytes long.
Data: < > D0 B2 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C28DB3E740, 16 bytes long.
Data: < > A8 B2 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C28DB3ECE0, 16 bytes long.
Data: < > 80 B2 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C28DB3E290, 16 bytes long.
Data: <X > 58 B2 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C28DB39280, 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 0x000002C28DB3EE70, 16 bytes long.
Data: <0 > 30 B2 B2 8D C2 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C28DB2B230, 320 bytes long.
Data: <p > 70 EE B3 8D C2 02 00 00 80 92 B3 8D C2 02 00 00
{275} normal block at 0x000002C28DB3E880, 16 bytes long.
Data: < > C0 F1 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C28DB3E1F0, 16 bytes long.
Data: < > 98 F1 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C28DB388C0, 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 0x000002C28DB3E060, 16 bytes long.
Data: <p > 70 F1 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C28DB396A0, 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 0x000002C28DB3E330, 16 bytes long.
Data: < > B8 F0 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C28DB3E5B0, 16 bytes long.
Data: < > 90 F0 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C28DB3E010, 16 bytes long.
Data: <h > 68 F0 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C28DB3DFC0, 16 bytes long.
Data: <@ > 40 F0 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C28DB3E1A0, 16 bytes long.
Data: < > 18 F0 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C28DB3E830, 16 bytes long.
Data: < > F0 EF B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C28DB3EA10, 16 bytes long.
Data: < > 20 A6 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C28DB3A620, 40 bytes long.
Data: < @ > 10 EA B3 8D C2 02 00 00 40 B7 B2 8D C2 02 00 00
{261} normal block at 0x000002C28DB3EEC0, 16 bytes long.
Data: < > D0 EF B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C28DB3E420, 16 bytes long.
Data: < > A8 EF B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C28DB38EC0, 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 0x000002C28DB3E510, 16 bytes long.
Data: < > 80 EF B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002C28DB3EF80, 992 bytes long.
Data: < > 10 E5 B3 8D C2 02 00 00 C0 8E B3 8D C2 02 00 00
{93} normal block at 0x000002C28DB39400, 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 0x000002C28DB2CC10, 16 bytes long.
Data: < > 00 A7 B3 8D C2 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002C28DB3A700, 40 bytes long.
Data: < > 10 CC B2 8D C2 02 00 00 00 94 B3 8D C2 02 00 00
{68} normal block at 0x000002C28DB2C800, 16 bytes long.
Data: < > 80 EA 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C28DB2C300, 16 bytes long.
Data: <@ > 40 E9 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C28DB2C210, 16 bytes long.
Data: < W > F8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C28DB2C260, 16 bytes long.
Data: < W > D8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C28DB2CBC0, 16 bytes long.
Data: <P > 50 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002C28DB2CC60, 16 bytes long.
Data: <0 > 30 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002C28DB2C4E0, 16 bytes long.
Data: < > E0 02 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002C28DB2C7B0, 16 bytes long.
Data: < > 10 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002C28DB2C8F0, 16 bytes long.
Data: <p > 70 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002C28DB2C850, 16 bytes long.
Data: < > 18 C0 98 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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