Task 38677752

Name test_48-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5772_0
Workunit 31619609
Created 26 Oct 2026, 15:17:26 UTC
Sent 26 Oct 2026, 15:17:30 UTC
Report deadline 31 Oct 2026, 15:17:30 UTC
Received 26 Oct 2026, 16:09:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610527
Run time 51 min 10 sec
CPU time 43 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.67 MB
Peak swap size 8.37 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:19:04 (21692): wrapper (7.9.26016): starting
10:19:04 (21692): 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
10:19:06 (21692): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:19:06 (21692): 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\19\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\19\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
11:08:48 (21692): C:/Windows/system32/cmd.exe exited; CPU time 2596.843750
11:08:48 (21692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 54066597 bytes.
Dumping objects ->
{3835255} normal block at 0x000002542A7F4C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002542A7F4AD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002542A7F49F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000002542A7F4C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002542A7F4DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000002542C5D8DF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000002542A7E6D70, 255 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) : {3835166} normal block at 0x000002542A7F08C0, 8 bytes long.
 Data: <  &#227;*T   > 00 00 E3 2A 54 02 00 00 
{3834567} normal block at 0x000002542A7E69B0, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002542A7F0870, 8 bytes long.
 Data: <&#176;&#227;N,T   > B0 E3 4E 2C 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002542A7E64B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002542A7E7170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002542A7F5EB0, 16 bytes long.
 Data: < g *T           > 98 67 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002542A7F5D20, 16 bytes long.
 Data: <pg *T           > 70 67 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002542A7F1160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002542A7F5BE0, 16 bytes long.
 Data: <Hg *T           > 48 67 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002542A7F54B0, 16 bytes long.
 Data: < g *T           > 20 67 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002542A7F5C80, 16 bytes long.
 Data: <&#248;f *T           > F8 66 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002542A7F5AA0, 16 bytes long.
 Data: <&#208;f *T           > D0 66 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002542A7F4910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002542A7F6090, 16 bytes long.
 Data: <h&#248;~*T           > 68 F8 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002542A7F1820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002542A7F5A50, 16 bytes long.
 Data: <@&#248;~*T           > 40 F8 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002542A7F61D0, 16 bytes long.
 Data: < &#248;~*T           > 18 F8 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002542A7F5B90, 16 bytes long.
 Data: <&#240;&#247;~*T           > F0 F7 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002542A7F5A00, 16 bytes long.
 Data: <&#200;&#247;~*T           > C8 F7 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002542A7F59B0, 16 bytes long.
 Data: <&#160;&#247;~*T           > A0 F7 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002542A7F63B0, 16 bytes long.
 Data: <x&#247;~*T           > 78 F7 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002542A7F1640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002542A7F5910, 16 bytes long.
 Data: <P&#247;~*T           > 50 F7 7E 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002542A7EF750, 320 bytes long.
 Data: < Y *T   @  *T   > 10 59 7F 2A 54 02 00 00 40 16 7F 2A 54 02 00 00 
{277} normal block at 0x000002542A7F6360, 16 bytes long.
 Data: <&#176;f *T           > B0 66 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002542A7F58C0, 16 bytes long.
 Data: < f *T           > 88 66 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002542A7F09E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002542A7F5730, 16 bytes long.
 Data: <`f *T           > 60 66 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002542A7F12E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002542A7F56E0, 16 bytes long.
 Data: <&#168;e *T           > A8 65 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002542A7F5960, 16 bytes long.
 Data: < e *T           > 80 65 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002542A7F6310, 16 bytes long.
 Data: <Xe *T           > 58 65 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002542A7F5B40, 16 bytes long.
 Data: <0e *T           > 30 65 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002542A7F6400, 16 bytes long.
 Data: < e *T           > 08 65 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002542A7F5CD0, 16 bytes long.
 Data: <&#224;d *T           > E0 64 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002542A7F5640, 16 bytes long.
 Data: <&#160;H *T           > A0 48 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002542A7F48A0, 40 bytes long.
 Data: <@V *T   &#240; ],T   > 40 56 7F 2A 54 02 00 00 F0 8D 5D 2C 54 02 00 00 
{263} normal block at 0x000002542A7F5820, 16 bytes long.
 Data: <&#192;d *T           > C0 64 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002542A7F62C0, 16 bytes long.
 Data: < d *T           > 98 64 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002542A7F0CE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002542A7F5870, 16 bytes long.
 Data: <pd *T           > 70 64 7F 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002542A7F6470, 992 bytes long.
 Data: <pX *T   &#224;  *T   > 70 58 7F 2A 54 02 00 00 E0 0C 7F 2A 54 02 00 00 
{95} normal block at 0x000002542A7F0DA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002542A7EFBF0, 16 bytes long.
 Data: <0&#215;}*T           > 30 D7 7D 2A 54 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002542A7DD730, 40 bytes long.
 Data: <&#240;&#251;~*T   &#160;  *T   > F0 FB 7E 2A 54 02 00 00 A0 0D 7F 2A 54 02 00 00 
{72} normal block at 0x000002542A7F0000, 16 bytes long.
 Data: < &#234;MB&#246;           > 80 EA 4D 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002542A7F0230, 16 bytes long.
 Data: <@&#233;MB&#246;           > 40 E9 4D 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002542A7EFBA0, 16 bytes long.
 Data: <&#248;WJB&#246;           > F8 57 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002542A7F0500, 16 bytes long.
 Data: <&#216;WJB&#246;           > D8 57 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002542A7EFFB0, 16 bytes long.
 Data: <P JB&#246;           > 50 04 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002542A7F0820, 16 bytes long.
 Data: <0 JB&#246;           > 30 04 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002542A7F0050, 16 bytes long.
 Data: <&#224; JB&#246;           > E0 02 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002542A7F0410, 16 bytes long.
 Data: <  JB&#246;           > 10 04 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002542A7EFB00, 16 bytes long.
 Data: <p JB&#246;           > 70 04 4A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002542A7F0460, 16 bytes long.
 Data: < &#192;HB&#246;           > 18 C0 48 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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