Task 38653404

Name test_784-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND7987_0
Workunit 31597368
Created 24 Oct 2026, 5:32:30 UTC
Sent 24 Oct 2026, 5:42:27 UTC
Report deadline 29 Oct 2026, 5:42:27 UTC
Received 24 Oct 2026, 7:05:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 21 min 5 sec
CPU time 20 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.10 MB
Peak swap size 13.00 GB
Peak disk usage 3.44 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:44:47 (43516): wrapper (7.9.26016): starting
02:44:47 (43516): 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
02:44:48 (43516): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:44:48 (43516): 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\16\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\16\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
03:04:59 (43516): C:/Windows/system32/cmd.exe exited; CPU time 1201.640625
03:04:59 (43516): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 29662847 bytes.
Dumping objects ->
{3835439} normal block at 0x000001EB2EA6E0D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x000001EB2CDA52D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x000001EB2CDA58F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835406} normal block at 0x000001EB2CDA5880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x000001EB2CDA5650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835364} normal block at 0x000001EB2EAB5680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835351} normal block at 0x000001EB2CDA0AE0, 8 bytes long.
 Data: <  0-&#235;   > 00 00 30 2D EB 01 00 00 
{3833967} normal block at 0x000001EB2CDA0090, 8 bytes long.
 Data: < F&#177;.&#235;   > 00 46 B1 2E EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001EB2CDA24F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001EB2CD90DE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001EB2CDA6390, 16 bytes long.
 Data: <&#200;q&#218;,&#235;           > C8 71 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EB2CDA6980, 16 bytes long.
 Data: <&#160;q&#218;,&#235;           > A0 71 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EB2CD9E2F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001EB2CDA62A0, 16 bytes long.
 Data: <xq&#218;,&#235;           > 78 71 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EB2CDA5F30, 16 bytes long.
 Data: <Pq&#218;,&#235;           > 50 71 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EB2CDA6430, 16 bytes long.
 Data: <(q&#218;,&#235;           > 28 71 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EB2CDA6250, 16 bytes long.
 Data: < q&#218;,&#235;           > 00 71 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB2CDA5420, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001EB2CDA63E0, 16 bytes long.
 Data: <H&#245;&#216;,&#235;           > 48 F5 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EB2CD9E110, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001EB2CDA6340, 16 bytes long.
 Data: < &#245;&#216;,&#235;           > 20 F5 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EB2CDA61B0, 16 bytes long.
 Data: <&#248;&#244;&#216;,&#235;           > F8 F4 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EB2CDA67F0, 16 bytes long.
 Data: <&#208;&#244;&#216;,&#235;           > D0 F4 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EB2CDA5FD0, 16 bytes long.
 Data: <&#168;&#244;&#216;,&#235;           > A8 F4 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EB2CDA6200, 16 bytes long.
 Data: < &#244;&#216;,&#235;           > 80 F4 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EB2CDA6A70, 16 bytes long.
 Data: <X&#244;&#216;,&#235;           > 58 F4 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB2CD9E050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001EB2CDA6660, 16 bytes long.
 Data: <0&#244;&#216;,&#235;           > 30 F4 D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB2CD8F430, 320 bytes long.
 Data: <`f&#218;,&#235;   P&#224;&#217;,&#235;   > 60 66 DA 2C EB 01 00 00 50 E0 D9 2C EB 01 00 00 
{279} normal block at 0x000001EB2CDA6480, 16 bytes long.
 Data: <&#224;p&#218;,&#235;           > E0 70 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EB2CDA6110, 16 bytes long.
 Data: <&#184;p&#218;,&#235;           > B8 70 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EB2CD9DF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001EB2CDA6570, 16 bytes long.
 Data: < p&#218;,&#235;           > 90 70 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EB2CD9E350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001EB2CDA68E0, 16 bytes long.
 Data: <&#216;o&#218;,&#235;           > D8 6F DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EB2CDA5F80, 16 bytes long.
 Data: <&#176;o&#218;,&#235;           > B0 6F DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EB2CDA6610, 16 bytes long.
 Data: < o&#218;,&#235;           > 88 6F DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EB2CDA6020, 16 bytes long.
 Data: <`o&#218;,&#235;           > 60 6F DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EB2CDA6E30, 16 bytes long.
 Data: <8o&#218;,&#235;           > 38 6F DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB2CDA6B10, 16 bytes long.
 Data: < o&#218;,&#235;           > 10 6F DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EB2CDA67A0, 16 bytes long.
 Data: <@S&#218;,&#235;           > 40 53 DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB2CDA5340, 40 bytes long.
 Data: <&#160;g&#218;,&#235;    V&#171;.&#235;   > A0 67 DA 2C EB 01 00 00 80 56 AB 2E EB 01 00 00 
{265} normal block at 0x000001EB2CDA6160, 16 bytes long.
 Data: <&#240;n&#218;,&#235;           > F0 6E DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EB2CDA6070, 16 bytes long.
 Data: <&#200;n&#218;,&#235;           > C8 6E DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EB2CD9DCF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001EB2CDA60C0, 16 bytes long.
 Data: <&#160;n&#218;,&#235;           > A0 6E DA 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EB2CDA6EA0, 992 bytes long.
 Data: <&#192;`&#218;,&#235;   &#240;&#220;&#217;,&#235;   > C0 60 DA 2C EB 01 00 00 F0 DC D9 2C EB 01 00 00 
{97} normal block at 0x000001EB2CD9DED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001EB2CDA0770, 16 bytes long.
 Data: < &#237;&#216;,&#235;           > 20 ED D8 2C EB 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001EB2CD8ED20, 40 bytes long.
 Data: <p &#218;,&#235;   &#208;&#222;&#217;,&#235;   > 70 07 DA 2C EB 01 00 00 D0 DE D9 2C EB 01 00 00 
{74} normal block at 0x000001EB2CD9FEB0, 16 bytes long.
 Data: < &#234;)C&#247;           > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EB2CDA0950, 16 bytes long.
 Data: <@&#233;)C&#247;           > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EB2CDA0400, 16 bytes long.
 Data: <&#248;W&C&#247;           > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EB2CDA0900, 16 bytes long.
 Data: <&#216;W&C&#247;           > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EB2CDA0220, 16 bytes long.
 Data: <P &C&#247;           > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EB2CDA0180, 16 bytes long.
 Data: <0 &C&#247;           > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB2CD9FE60, 16 bytes long.
 Data: <&#224; &C&#247;           > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB2CD9FFF0, 16 bytes long.
 Data: <  &C&#247;           > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EB2CDA0B30, 16 bytes long.
 Data: <p &C&#247;           > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EB2CDA0040, 16 bytes long.
 Data: < &#192;$C&#247;           > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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