Task 38689572

Name test_238-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1647_0
Workunit 31630813
Created 28 Oct 2026, 21:53:12 UTC
Sent 28 Oct 2026, 21:53:21 UTC
Report deadline 2 Nov 2026, 21:53:21 UTC
Received 28 Oct 2026, 23:04:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 2 min 7 sec
CPU time 59 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.88 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:03:24 (16952): wrapper (7.9.26016): starting
17:03:24 (16952): 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
17:03:25 (16952): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:03:25 (16952): 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
18:04:02 (16952): C:/Windows/system32/cmd.exe exited; CPU time 3588.312500
18:04:02 (16952): 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: 67983123 bytes.
Dumping objects ->
{3835204} normal block at 0x000001A316E7AF70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001A316E54EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001A316E54E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x000001A316E54DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000001A316E54D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x000001A318B87B80, 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) : {3835116} normal block at 0x000001A316E4EA60, 8 bytes long.
 Data: <  &#162; &#163;   > 00 00 A2 18 A3 01 00 00 
{3833967} normal block at 0x000001A316E4F4B0, 8 bytes long.
 Data: < 9&#190; &#163;   > 80 39 BE 18 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A316E51660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A316E46A50, 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 0x000001A316E55650, 16 bytes long.
 Data: <&#184;f&#229; &#163;           > B8 66 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A316E560A0, 16 bytes long.
 Data: < f&#229; &#163;           > 90 66 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A316E50130, 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 0x000001A316E55FB0, 16 bytes long.
 Data: <hf&#229; &#163;           > 68 66 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A316E55EC0, 16 bytes long.
 Data: <@f&#229; &#163;           > 40 66 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A316E55740, 16 bytes long.
 Data: < f&#229; &#163;           > 18 66 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A316E55E20, 16 bytes long.
 Data: <&#240;e&#229; &#163;           > F0 65 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A316E548A0, 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 0x000001A316E55BF0, 16 bytes long.
 Data: <H&#231;&#228; &#163;           > 48 E7 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A316E4FDD0, 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 0x000001A316E55470, 16 bytes long.
 Data: < &#231;&#228; &#163;           > 20 E7 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A316E556F0, 16 bytes long.
 Data: <&#248;&#230;&#228; &#163;           > F8 E6 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A316E55420, 16 bytes long.
 Data: <&#208;&#230;&#228; &#163;           > D0 E6 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A316E55B50, 16 bytes long.
 Data: <&#168;&#230;&#228; &#163;           > A8 E6 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A316E55A10, 16 bytes long.
 Data: < &#230;&#228; &#163;           > 80 E6 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A316E55F60, 16 bytes long.
 Data: <X&#230;&#228; &#163;           > 58 E6 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A316E4F950, 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 0x000001A316E55DD0, 16 bytes long.
 Data: <0&#230;&#228; &#163;           > 30 E6 E4 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A316E4E630, 320 bytes long.
 Data: <&#208;]&#229; &#163;   P&#249;&#228; &#163;   > D0 5D E5 16 A3 01 00 00 50 F9 E4 16 A3 01 00 00 
{279} normal block at 0x000001A316E561E0, 16 bytes long.
 Data: <&#208;e&#229; &#163;           > D0 65 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A316E55D80, 16 bytes long.
 Data: <&#168;e&#229; &#163;           > A8 65 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A316E50730, 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 0x000001A316E55F10, 16 bytes long.
 Data: < e&#229; &#163;           > 80 65 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A316E505B0, 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 0x000001A316E56140, 16 bytes long.
 Data: <&#200;d&#229; &#163;           > C8 64 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A316E55E70, 16 bytes long.
 Data: <&#160;d&#229; &#163;           > A0 64 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A316E560F0, 16 bytes long.
 Data: <xd&#229; &#163;           > 78 64 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A316E55CE0, 16 bytes long.
 Data: <Pd&#229; &#163;           > 50 64 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A316E56230, 16 bytes long.
 Data: <(d&#229; &#163;           > 28 64 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A316E55970, 16 bytes long.
 Data: < d&#229; &#163;           > 00 64 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A316E554C0, 16 bytes long.
 Data: <`J&#229; &#163;           > 60 4A E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A316E54A60, 40 bytes long.
 Data: <&#192;T&#229; &#163;    {&#184; &#163;   > C0 54 E5 16 A3 01 00 00 80 7B B8 18 A3 01 00 00 
{265} normal block at 0x000001A316E55880, 16 bytes long.
 Data: <&#224;c&#229; &#163;           > E0 63 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A316E55920, 16 bytes long.
 Data: <&#184;c&#229; &#163;           > B8 63 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A316E4F8F0, 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 0x000001A316E559C0, 16 bytes long.
 Data: < c&#229; &#163;           > 90 63 E5 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A316E56390, 992 bytes long.
 Data: <&#192;Y&#229; &#163;   &#240;&#248;&#228; &#163;   > C0 59 E5 16 A3 01 00 00 F0 F8 E4 16 A3 01 00 00 
{97} normal block at 0x000001A316E4FD10, 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 0x000001A316E4F2D0, 16 bytes long.
 Data: <`&#194;&#227; &#163;           > 60 C2 E3 16 A3 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A316E3C260, 40 bytes long.
 Data: <&#208;&#242;&#228; &#163;    &#253;&#228; &#163;   > D0 F2 E4 16 A3 01 00 00 10 FD E4 16 A3 01 00 00 
{74} normal block at 0x000001A316E4F050, 16 bytes long.
 Data: < &#234;&#255;&#182;&#246;           > 80 EA FF B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A316E4F5A0, 16 bytes long.
 Data: <@&#233;&#255;&#182;&#246;           > 40 E9 FF B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A316E4E9C0, 16 bytes long.
 Data: <&#248;W&#252;&#182;&#246;           > F8 57 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A316E4F550, 16 bytes long.
 Data: <&#216;W&#252;&#182;&#246;           > D8 57 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A316E4E970, 16 bytes long.
 Data: <P &#252;&#182;&#246;           > 50 04 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A316E4EB00, 16 bytes long.
 Data: <0 &#252;&#182;&#246;           > 30 04 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A316E4F140, 16 bytes long.
 Data: <&#224; &#252;&#182;&#246;           > E0 02 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A316E4EE70, 16 bytes long.
 Data: <  &#252;&#182;&#246;           > 10 04 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A316E4F280, 16 bytes long.
 Data: <p &#252;&#182;&#246;           > 70 04 FC B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A316E4E920, 16 bytes long.
 Data: < &#192;&#250;&#182;&#246;           > 18 C0 FA B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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