Task 38669584

Name test_931-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4781_0
Workunit 31611910
Created 25 Oct 2026, 15:01:52 UTC
Sent 25 Oct 2026, 15:01:54 UTC
Report deadline 30 Oct 2026, 15:01:54 UTC
Received 25 Oct 2026, 16:30:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 31 min 23 sec
CPU time 27 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.70 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:59:00 (7360): wrapper (7.9.26016): starting
11:59:00 (7360): 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
11:59:01 (7360): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:59:01 (7360): 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\21\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\21\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
12:28:48 (7360): C:/Windows/system32/cmd.exe exited; CPU time 1660.359375
12:28:48 (7360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 34756407 bytes.
Dumping objects ->
{3835236} normal block at 0x000001FE2E235010, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001FE2E234FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001FE2E234F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000001FE2E234EC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001FE2E2349F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000001FE300ABAF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001FE300BF0B0, 103 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) : {3835147} normal block at 0x000001FE2E22F1F0, 8 bytes long.
 Data: <  &#222;/&#254;   > 00 00 DE 2F FE 01 00 00 
{3834543} normal block at 0x000001FE300BF210, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001FE2E22F740, 8 bytes long.
 Data: < T 0&#254;   > 10 54 13 30 FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FE2E230B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FE2E220520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001FE2E235700, 16 bytes long.
 Data: < h#.&#254;           > 08 68 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FE2E235C50, 16 bytes long.
 Data: <&#224;g#.&#254;           > E0 67 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FE2E22FF20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001FE2E2361F0, 16 bytes long.
 Data: <&#184;g#.&#254;           > B8 67 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FE2E236150, 16 bytes long.
 Data: < g#.&#254;           > 90 67 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FE2E235E30, 16 bytes long.
 Data: <hg#.&#254;           > 68 67 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FE2E235AC0, 16 bytes long.
 Data: <@g#.&#254;           > 40 67 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FE2E234A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001FE2E2361A0, 16 bytes long.
 Data: < &#231;".&#254;           > 18 E7 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FE2E22FB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001FE2E2355C0, 16 bytes long.
 Data: <&#240;&#230;".&#254;           > F0 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FE2E2357F0, 16 bytes long.
 Data: <&#200;&#230;".&#254;           > C8 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FE2E235980, 16 bytes long.
 Data: <&#160;&#230;".&#254;           > A0 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FE2E236010, 16 bytes long.
 Data: <x&#230;".&#254;           > 78 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FE2E235ED0, 16 bytes long.
 Data: <P&#230;".&#254;           > 50 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FE2E235B60, 16 bytes long.
 Data: <(&#230;".&#254;           > 28 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FE2E2308E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001FE2E2359D0, 16 bytes long.
 Data: < &#230;".&#254;           > 00 E6 22 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FE2E22E600, 320 bytes long.
 Data: <&#208;Y#.&#254;   &#224; #.&#254;   > D0 59 23 2E FE 01 00 00 E0 08 23 2E FE 01 00 00 
{275} normal block at 0x000001FE2E235A70, 16 bytes long.
 Data: < g#.&#254;           > 20 67 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FE2E235C00, 16 bytes long.
 Data: <&#248;f#.&#254;           > F8 66 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FE2E22FEC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001FE2E235660, 16 bytes long.
 Data: <&#208;f#.&#254;           > D0 66 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FE2E22FAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001FE2E2362E0, 16 bytes long.
 Data: < f#.&#254;           > 18 66 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FE2E2357A0, 16 bytes long.
 Data: <&#240;e#.&#254;           > F0 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FE2E2360B0, 16 bytes long.
 Data: <&#200;e#.&#254;           > C8 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FE2E235D90, 16 bytes long.
 Data: <&#160;e#.&#254;           > A0 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FE2E235FC0, 16 bytes long.
 Data: <xe#.&#254;           > 78 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FE2E235F70, 16 bytes long.
 Data: <Pe#.&#254;           > 50 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FE2E235750, 16 bytes long.
 Data: < L#.&#254;           > 90 4C 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FE2E234C90, 40 bytes long.
 Data: <PW#.&#254;   &#240;&#186; 0&#254;   > 50 57 23 2E FE 01 00 00 F0 BA 0A 30 FE 01 00 00 
{261} normal block at 0x000001FE2E235B10, 16 bytes long.
 Data: <0e#.&#254;           > 30 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FE2E235BB0, 16 bytes long.
 Data: < e#.&#254;           > 08 65 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FE2E230880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001FE2E235CF0, 16 bytes long.
 Data: <&#224;d#.&#254;           > E0 64 23 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FE2E2364E0, 992 bytes long.
 Data: <&#240;\#.&#254;     #.&#254;   > F0 5C 23 2E FE 01 00 00 80 08 23 2E FE 01 00 00 
{93} normal block at 0x000001FE2E2306A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001FE2E22EF70, 16 bytes long.
 Data: <`&#236;!.&#254;           > 60 EC 21 2E FE 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001FE2E21EC60, 40 bytes long.
 Data: <p&#239;".&#254;   &#160; #.&#254;   > 70 EF 22 2E FE 01 00 00 A0 06 23 2E FE 01 00 00 
{70} normal block at 0x000001FE2E22ECA0, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FE2E22F880, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FE2E22F060, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FE2E22EE30, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FE2E22F830, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FE2E22EAC0, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FE2E22F8D0, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FE2E22F2E0, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FE2E22ED90, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FE2E22F6F0, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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