Task 38662343

Name test_1668-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5620_0
Workunit 31605605
Created 24 Oct 2026, 18:48:10 UTC
Sent 24 Oct 2026, 18:48:25 UTC
Report deadline 29 Oct 2026, 18:48:25 UTC
Received 24 Oct 2026, 20:23:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 23 min 10 sec
CPU time 22 min 7 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 747.77 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:38:39 (36448): wrapper (7.9.26016): starting
15:38:39 (36448): 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
15:38:40 (36448): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:38:40 (36448): 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\33\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\33\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
16:00:56 (36448): C:/Windows/system32/cmd.exe exited; CPU time 1327.546875
16:00:56 (36448): 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: 32926479 bytes.
Dumping objects ->
{3835439} normal block at 0x0000025FC81FDC70, 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 0x0000025FC6485900, 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 0x0000025FC6485890, 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 0x0000025FC6485820, 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 0x0000025FC64856D0, 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 0x0000025FC8246D80, 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 0x0000025FC64803E0, 8 bytes long.
 Data: <  &#164;&#198;_   > 00 00 A4 C6 5F 02 00 00 
{3833967} normal block at 0x0000025FC647FC60, 8 bytes long.
 Data: <PE*&#200;_   > 50 45 2A C8 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025FC64822F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025FC6476F10, 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 0x0000025FC64865C0, 16 bytes long.
 Data: <&#248;sH&#198;_           > F8 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025FC64862F0, 16 bytes long.
 Data: <&#208;sH&#198;_           > D0 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025FC647E5B0, 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 0x0000025FC6486890, 16 bytes long.
 Data: <&#168;sH&#198;_           > A8 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025FC6486C50, 16 bytes long.
 Data: < sH&#198;_           > 80 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025FC6486FC0, 16 bytes long.
 Data: <XsH&#198;_           > 58 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025FC6486570, 16 bytes long.
 Data: <0sH&#198;_           > 30 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025FC6485740, 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 0x0000025FC6486D90, 16 bytes long.
 Data: <(&#247;G&#198;_           > 28 F7 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025FC647E2B0, 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 0x0000025FC6487010, 16 bytes long.
 Data: < &#247;G&#198;_           > 00 F7 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025FC6486840, 16 bytes long.
 Data: <&#216;&#246;G&#198;_           > D8 F6 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025FC6486D40, 16 bytes long.
 Data: <&#176;&#246;G&#198;_           > B0 F6 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025FC6486B10, 16 bytes long.
 Data: < &#246;G&#198;_           > 88 F6 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025FC64867F0, 16 bytes long.
 Data: <`&#246;G&#198;_           > 60 F6 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025FC6486F20, 16 bytes long.
 Data: <8&#246;G&#198;_           > 38 F6 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025FC647DA10, 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 0x0000025FC64862A0, 16 bytes long.
 Data: < &#246;G&#198;_           > 10 F6 47 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025FC647F610, 320 bytes long.
 Data: <&#160;bH&#198;_    &#218;G&#198;_   > A0 62 48 C6 5F 02 00 00 10 DA 47 C6 5F 02 00 00 
{279} normal block at 0x0000025FC6486F70, 16 bytes long.
 Data: < sH&#198;_           > 10 73 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025FC6486C00, 16 bytes long.
 Data: <&#232;rH&#198;_           > E8 72 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025FC647E250, 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 0x0000025FC6486480, 16 bytes long.
 Data: <&#192;rH&#198;_           > C0 72 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025FC647E790, 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 0x0000025FC6486930, 16 bytes long.
 Data: < rH&#198;_           > 08 72 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025FC6486ED0, 16 bytes long.
 Data: <&#224;qH&#198;_           > E0 71 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025FC6486E80, 16 bytes long.
 Data: <&#184;qH&#198;_           > B8 71 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025FC6486E30, 16 bytes long.
 Data: < qH&#198;_           > 90 71 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025FC6486250, 16 bytes long.
 Data: <hqH&#198;_           > 68 71 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025FC6486DE0, 16 bytes long.
 Data: <@qH&#198;_           > 40 71 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025FC6486200, 16 bytes long.
 Data: <PZH&#198;_           > 50 5A 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025FC6485A50, 40 bytes long.
 Data: < bH&#198;_    m$&#200;_   > 00 62 48 C6 5F 02 00 00 80 6D 24 C8 5F 02 00 00 
{265} normal block at 0x0000025FC6486CF0, 16 bytes long.
 Data: < qH&#198;_           > 20 71 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025FC64861B0, 16 bytes long.
 Data: <&#248;pH&#198;_           > F8 70 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025FC647E0D0, 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 0x0000025FC6486CA0, 16 bytes long.
 Data: <&#208;pH&#198;_           > D0 70 48 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025FC64870D0, 992 bytes long.
 Data: <&#160;lH&#198;_   &#208;&#224;G&#198;_   > A0 6C 48 C6 5F 02 00 00 D0 E0 47 C6 5F 02 00 00 
{97} normal block at 0x0000025FC647DE90, 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 0x0000025FC6480980, 16 bytes long.
 Data: < &#196;F&#198;_           > 00 C4 46 C6 5F 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025FC646C400, 40 bytes long.
 Data: < 	H&#198;_    &#222;G&#198;_   > 80 09 48 C6 5F 02 00 00 90 DE 47 C6 5F 02 00 00 
{74} normal block at 0x0000025FC6480B10, 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 0x0000025FC6480840, 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 0x0000025FC6480390, 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 0x0000025FC6480AC0, 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 0x0000025FC647FF80, 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 0x0000025FC6480200, 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 0x0000025FC64807F0, 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 0x0000025FC6480930, 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 0x0000025FC6480B60, 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 0x0000025FC64806B0, 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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