Task 38650441
| Name | test_160-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND5840_0 |
| Workunit | 31594946 |
| Created | 23 Oct 2026, 23:27:08 UTC |
| Sent | 23 Oct 2026, 23:53:36 UTC |
| Report deadline | 28 Oct 2026, 23:53:36 UTC |
| Received | 24 Oct 2026, 2:18:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609629 |
| Run time | 55 min 5 sec |
| CPU time | 51 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,533.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.31 MB |
| Peak swap size | 18.78 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:16:37 (18424): wrapper (7.9.26016): starting
04:16:37 (18424): 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
04:16:41 (18424): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:41 (18424): 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\44\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\44\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.
04:34:25 (17860): wrapper (7.9.26016): starting
04:34:25 (17860): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\44\tmp already exists.
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
05:17:45 (17860): C:/Windows/system32/cmd.exe exited; CPU time 2551.515625
05:17:45 (17860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 46600693 bytes.
Dumping objects ->
{1598} normal block at 0x000002BD37BA1970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x000002BD37BA1900, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x000002BD37BA1820, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1565} normal block at 0x000002BD37BA17B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1554} normal block at 0x000002BD37BA14A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1523} normal block at 0x000002BD37B8FC70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1512} normal block at 0x000002BD37B8E880, 180 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) : {1509} normal block at 0x000002BD37BA6060, 8 bytes long.
Data: < 7 > 00 00 B7 37 BD 02 00 00
{902} normal block at 0x000002BD37B8E790, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{299} normal block at 0x000002BD37BA5DE0, 8 bytes long.
Data: <0W 7 > 30 57 BA 37 BD 02 00 00
{290} normal block at 0x000002BD37B90270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000002BD37BA65B0, 16 bytes long.
Data: <xt 7 > 78 74 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BD37BA6970, 16 bytes long.
Data: <Pt 7 > 50 74 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BD37BA1FE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000002BD37BA6510, 16 bytes long.
Data: <(t 7 > 28 74 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BD37BA64C0, 16 bytes long.
Data: < t 7 > 00 74 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BD37BA6470, 16 bytes long.
Data: < s 7 > D8 73 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BD37BA5E30, 16 bytes long.
Data: < s 7 > B0 73 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BD37BA1510, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000002BD37BA6420, 16 bytes long.
Data: < 7 > 08 FC B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BD37BA1CE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000002BD37BA6920, 16 bytes long.
Data: < 7 > E0 FB B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BD37BA68D0, 16 bytes long.
Data: < 7 > B8 FB B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002BD37BA5D90, 16 bytes long.
Data: < 7 > 90 FB B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BD37BA63D0, 16 bytes long.
Data: <h 7 > 68 FB B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BD37BA6880, 16 bytes long.
Data: <@ 7 > 40 FB B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BD37BA6010, 16 bytes long.
Data: < 7 > 18 FB B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BD37BA2A60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000002BD37BA5FC0, 16 bytes long.
Data: < 7 > F0 FA B8 37 BD 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BD37B8FAF0, 320 bytes long.
Data: < _ 7 `* 7 > C0 5F BA 37 BD 02 00 00 60 2A BA 37 BD 02 00 00
{269} normal block at 0x000002BD37BA6790, 16 bytes long.
Data: < s 7 > 90 73 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BD37BA6380, 16 bytes long.
Data: <hs 7 > 68 73 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BD37BA2580, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000002BD37BA6290, 16 bytes long.
Data: <@s 7 > 40 73 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BD37BA2A00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000002BD37BA6100, 16 bytes long.
Data: < r 7 > 88 72 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BD37BA69C0, 16 bytes long.
Data: <`r 7 > 60 72 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BD37BA6740, 16 bytes long.
Data: <8r 7 > 38 72 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BD37BA6330, 16 bytes long.
Data: < r 7 > 10 72 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BD37BA6240, 16 bytes long.
Data: < q 7 > E8 71 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BD37BA62E0, 16 bytes long.
Data: < q 7 > C0 71 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002BD37BA6C40, 16 bytes long.
Data: <@ 7 > 40 17 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002BD37BA1740, 40 bytes long.
Data: <@l 7 p 7 > 40 6C BA 37 BD 02 00 00 70 FC B8 37 BD 02 00 00
{255} normal block at 0x000002BD37BA66A0, 16 bytes long.
Data: < q 7 > A0 71 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002BD37BA6AB0, 16 bytes long.
Data: <xq 7 > 78 71 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002BD37BA1F20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000002BD37BA6650, 16 bytes long.
Data: <Pq 7 > 50 71 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002BD37BA7150, 992 bytes long.
Data: <Pf 7 7 > 50 66 BA 37 BD 02 00 00 20 1F BA 37 BD 02 00 00
{87} normal block at 0x000002BD37BA2460, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000002BD37B9B6B0, 16 bytes long.
Data: <P 7 > 50 13 BA 37 BD 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002BD37BA1350, 40 bytes long.
Data: < 7 `$ 7 > B0 B6 B9 37 BD 02 00 00 60 24 BA 37 BD 02 00 00
{64} normal block at 0x000002BD37B9BA70, 16 bytes long.
Data: < 0 > 80 EA 30 D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BD37B9BAC0, 16 bytes long.
Data: <@ 0 > 40 E9 30 D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BD37B9B2F0, 16 bytes long.
Data: < W- > F8 57 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BD37B9B2A0, 16 bytes long.
Data: < W- > D8 57 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BD37B9BED0, 16 bytes long.
Data: <P - > 50 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002BD37B9B250, 16 bytes long.
Data: <0 - > 30 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002BD37B9BE80, 16 bytes long.
Data: < - > E0 02 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002BD37B9BA20, 16 bytes long.
Data: < - > 10 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002BD37B9B700, 16 bytes long.
Data: <p - > 70 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002BD37B9B7A0, 16 bytes long.
Data: < + > 18 C0 2B D0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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