Task 38684646
| Name | test_69-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8622_0 |
| Workunit | 31626154 |
| Created | 27 Oct 2026, 17:18:35 UTC |
| Sent | 27 Oct 2026, 17:18:37 UTC |
| Report deadline | 1 Nov 2026, 17:18:37 UTC |
| Received | 27 Oct 2026, 20:40:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618086 |
| Run time | 58 min 21 sec |
| CPU time | 49 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,339.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.83 MB |
| Peak swap size | 8.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:44:02 (4600): wrapper (7.9.26016): starting
12:44:02 (4600): 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
12:44:05 (4600): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:44:05 (4600): 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\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 'C:\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.
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
13:39:41 (4600): C:/Windows/system32/cmd.exe exited; CPU time 2980.281250
13:39:41 (4600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 64247019 bytes.
Dumping objects ->
{3835458} normal block at 0x000001A9FBEAD9D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835447} normal block at 0x000001A9FBEADD50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835436} normal block at 0x000001A9FBEAE0D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835425} normal block at 0x000001A9FA144ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835414} normal block at 0x000001A9FA144E60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835383} normal block at 0x000001A9FBEF8D20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835372} normal block at 0x000001A9FBF0FEC0, 102 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) : {3835369} normal block at 0x000001A9FA13DBC0, 8 bytes long.
Data: < aú© > 00 00 61 FA A9 01 00 00
{3834654} normal block at 0x000001A9FBF0FCB0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001A9FA13E6B0, 8 bytes long.
Data: <pGõû© > 70 47 F5 FB A9 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A9FA1420E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001A9FA136B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001A9FA146AB0, 16 bytes long.
Data: <Øo ú© > D8 6F 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A9FA145ED0, 16 bytes long.
Data: <°o ú© > B0 6F 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A9FA140590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001A9FA1469C0, 16 bytes long.
Data: < o ú© > 88 6F 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A9FA146290, 16 bytes long.
Data: <`o ú© > 60 6F 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A9FA146150, 16 bytes long.
Data: <8o ú© > 38 6F 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A9FA1466A0, 16 bytes long.
Data: < o ú© > 10 6F 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A9FA145250, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001A9FA145FC0, 16 bytes long.
Data: <XZ ú© > 58 5A 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A9FA140410, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001A9FA1464C0, 16 bytes long.
Data: <0Z ú© > 30 5A 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A9FA146510, 16 bytes long.
Data: < Z ú© > 08 5A 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A9FA145F70, 16 bytes long.
Data: <àY ú© > E0 59 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A9FA146970, 16 bytes long.
Data: <¸Y ú© > B8 59 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A9FA146BF0, 16 bytes long.
Data: < Y ú© > 90 59 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A9FA145D40, 16 bytes long.
Data: <hY ú© > 68 59 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A9FA13FE10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001A9FA145E30, 16 bytes long.
Data: <@Y ú© > 40 59 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A9FA145940, 320 bytes long.
Data: <0^ ú© þ ú© > 30 5E 14 FA A9 01 00 00 10 FE 13 FA A9 01 00 00
{278} normal block at 0x000001A9FA146240, 16 bytes long.
Data: <ðn ú© > F0 6E 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A9FA146010, 16 bytes long.
Data: <Èn ú© > C8 6E 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A9FA1403B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001A9FA146BA0, 16 bytes long.
Data: < n ú© > A0 6E 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A9FA13F7B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001A9FA145F20, 16 bytes long.
Data: <èm ú© > E8 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A9FA1468D0, 16 bytes long.
Data: <Àm ú© > C0 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A9FA1461F0, 16 bytes long.
Data: < m ú© > 98 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A9FA1462E0, 16 bytes long.
Data: <pm ú© > 70 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A9FA146060, 16 bytes long.
Data: <Hm ú© > 48 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A9FA146920, 16 bytes long.
Data: < m ú© > 20 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A9FA146740, 16 bytes long.
Data: < M ú© > 80 4D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A9FA144D80, 40 bytes long.
Data: <@g ú© ïû© > 40 67 14 FA A9 01 00 00 20 8D EF FB A9 01 00 00
{264} normal block at 0x000001A9FA146830, 16 bytes long.
Data: < m ú© > 00 6D 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A9FA1463D0, 16 bytes long.
Data: <Øl ú© > D8 6C 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A9FA13F930, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001A9FA145DE0, 16 bytes long.
Data: <°l ú© > B0 6C 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A9FA146CB0, 992 bytes long.
Data: <à] ú© 0ù ú© > E0 5D 14 FA A9 01 00 00 30 F9 13 FA A9 01 00 00
{96} normal block at 0x000001A9FA1400B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001A9FA13E110, 16 bytes long.
Data: < P ú© > 90 50 14 FA A9 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001A9FA145090, 40 bytes long.
Data: < á ú© ° ú© > 10 E1 13 FA A9 01 00 00 B0 00 14 FA A9 01 00 00
{73} normal block at 0x000001A9FA13DDA0, 16 bytes long.
Data: < ê ö > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A9FA13D9E0, 16 bytes long.
Data: <@é ö > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A9FA13E7F0, 16 bytes long.
Data: <øW ö > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A9FA13E5C0, 16 bytes long.
Data: <ØW ö > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A9FA13E250, 16 bytes long.
Data: <P ö > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A9FA13D8A0, 16 bytes long.
Data: <0 ö > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A9FA13E520, 16 bytes long.
Data: <à ö > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A9FA13E200, 16 bytes long.
Data: < ö > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A9FA13DAD0, 16 bytes long.
Data: <p ö > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A9FA13E020, 16 bytes long.
Data: < À ö > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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