Task 38677488

Name test_314-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0723_0
Workunit 31619358
Created 26 Oct 2026, 14:29:45 UTC
Sent 26 Oct 2026, 14:29:52 UTC
Report deadline 31 Oct 2026, 14:29:52 UTC
Received 26 Oct 2026, 14:57:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 19 min 8 sec
CPU time 18 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.10 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:38:03 (44920): wrapper (7.9.26016): starting
15:38:03 (44920): 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
15:38:04 (44920): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:38:04 (44920): 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\1\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\1\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
15:56:58 (44920): C:/Windows/system32/cmd.exe exited; CPU time 1123.750000
15:56:58 (44920): 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: 24057349 bytes.
Dumping objects ->
{3835519} normal block at 0x00000244AD2B2C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x00000244AD2B2F30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x00000244AD2B32B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x00000244AD2B3550, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x00000244AD2B3860, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x00000244AD35D910, 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) : {3835431} normal block at 0x00000244AB52E5F0, 8 bytes long.
 Data: <  &#162;&#171;D   > 00 00 A2 AB 44 02 00 00 
{3833967} normal block at 0x00000244AB52E5A0, 8 bytes long.
 Data: <pG@&#173;D   > 70 47 40 AD 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000244AB531E60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000244AB526E70, 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 0x00000244AB536A00, 16 bytes long.
 Data: <&#216;nS&#171;D           > D8 6E 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000244AB5368C0, 16 bytes long.
 Data: <&#176;nS&#171;D           > B0 6E 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000244AB52F550, 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 0x00000244AB5362D0, 16 bytes long.
 Data: < nS&#171;D           > 88 6E 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000244AB535D80, 16 bytes long.
 Data: <`nS&#171;D           > 60 6E 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000244AB535F10, 16 bytes long.
 Data: <8nS&#171;D           > 38 6E 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000244AB5361E0, 16 bytes long.
 Data: < nS&#171;D           > 10 6E 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000244AB534080, 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 0x00000244AB5364B0, 16 bytes long.
 Data: <&#248;&#243;Q&#171;D           > F8 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000244AB52FF70, 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 0x00000244AB535C90, 16 bytes long.
 Data: <&#208;&#243;Q&#171;D           > D0 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000244AB536190, 16 bytes long.
 Data: <&#168;&#243;Q&#171;D           > A8 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000244AB5360F0, 16 bytes long.
 Data: < &#243;Q&#171;D           > 80 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000244AB536460, 16 bytes long.
 Data: <X&#243;Q&#171;D           > 58 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000244AB535D30, 16 bytes long.
 Data: <0&#243;Q&#171;D           > 30 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000244AB536870, 16 bytes long.
 Data: < &#243;Q&#171;D           > 08 F3 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000244AB530450, 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 0x00000244AB536140, 16 bytes long.
 Data: <&#224;&#242;Q&#171;D           > E0 F2 51 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000244AB51F2E0, 320 bytes long.
 Data: <@aS&#171;D   P S&#171;D   > 40 61 53 AB 44 02 00 00 50 04 53 AB 44 02 00 00 
{279} normal block at 0x00000244AB536820, 16 bytes long.
 Data: <&#240;mS&#171;D           > F0 6D 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000244AB5369B0, 16 bytes long.
 Data: <&#200;mS&#171;D           > C8 6D 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000244AB530330, 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 0x00000244AB5360A0, 16 bytes long.
 Data: <&#160;mS&#171;D           > A0 6D 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000244AB5302D0, 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 0x00000244AB535E20, 16 bytes long.
 Data: <&#232;lS&#171;D           > E8 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000244AB536960, 16 bytes long.
 Data: <&#192;lS&#171;D           > C0 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000244AB536410, 16 bytes long.
 Data: < lS&#171;D           > 98 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000244AB5367D0, 16 bytes long.
 Data: <plS&#171;D           > 70 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000244AB536780, 16 bytes long.
 Data: <HlS&#171;D           > 48 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000244AB5363C0, 16 bytes long.
 Data: < lS&#171;D           > 20 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000244AB536730, 16 bytes long.
 Data: < @S&#171;D           > 10 40 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000244AB534010, 40 bytes long.
 Data: <0gS&#171;D    &#217;5&#173;D   > 30 67 53 AB 44 02 00 00 10 D9 35 AD 44 02 00 00 
{265} normal block at 0x00000244AB535C40, 16 bytes long.
 Data: < lS&#171;D           > 00 6C 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000244AB535BF0, 16 bytes long.
 Data: <&#216;kS&#171;D           > D8 6B 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000244AB52F790, 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 0x00000244AB535CE0, 16 bytes long.
 Data: <&#176;kS&#171;D           > B0 6B 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000244AB536BB0, 992 bytes long.
 Data: <&#224;\S&#171;D    &#247;R&#171;D   > E0 5C 53 AB 44 02 00 00 90 F7 52 AB 44 02 00 00 
{97} normal block at 0x00000244AB52FF10, 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 0x00000244AB52D790, 16 bytes long.
 Data: <pDS&#171;D           > 70 44 53 AB 44 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000244AB534470, 40 bytes long.
 Data: < &#215;R&#171;D    &#255;R&#171;D   > 90 D7 52 AB 44 02 00 00 10 FF 52 AB 44 02 00 00 
{74} normal block at 0x00000244AB52E230, 16 bytes long.
 Data: < &#234;T&#146;&#246;           > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000244AB52E000, 16 bytes long.
 Data: <@&#233;T&#146;&#246;           > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000244AB52DF10, 16 bytes long.
 Data: <&#248;WQ&#146;&#246;           > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000244AB52DBA0, 16 bytes long.
 Data: <&#216;WQ&#146;&#246;           > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000244AB52DDD0, 16 bytes long.
 Data: <P Q&#146;&#246;           > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000244AB52DB50, 16 bytes long.
 Data: <0 Q&#146;&#246;           > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000244AB52E1E0, 16 bytes long.
 Data: <&#224; Q&#146;&#246;           > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000244AB52DD30, 16 bytes long.
 Data: <  Q&#146;&#246;           > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000244AB52DB00, 16 bytes long.
 Data: <p Q&#146;&#246;           > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000244AB52DF60, 16 bytes long.
 Data: < &#192;O&#146;&#246;           > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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