Task 38678783

Name test_508-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4927_0
Workunit 31620588
Created 26 Oct 2026, 18:29:18 UTC
Sent 26 Oct 2026, 18:29:19 UTC
Report deadline 31 Oct 2026, 18:29:19 UTC
Received 26 Oct 2026, 19:26:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 51 min 43 sec
CPU time 47 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 532.37 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:35:00 (18808): wrapper (7.9.26016): starting
12:35:00 (18808): 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
12:35:03 (18808): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:35:03 (18808): 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\0\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\0\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
13:25:24 (18808): C:/Windows/system32/cmd.exe exited; CPU time 2863.703125
13:25:24 (18808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 72557743 bytes.
Dumping objects ->
{3835490} normal block at 0x000001E6DC4B54F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001E6DC4B5480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001E6DC4B58E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x000001E6DC4B5720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000001E6DC4B5870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x000001E6DE055440, 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) : {3835402} normal block at 0x000001E6DC4AE810, 8 bytes long.
 Data: <  ~&#220;&#230;   > 00 00 7E DC E6 01 00 00 
{3833961} normal block at 0x000001E6DC4ADAF0, 8 bytes long.
 Data: < MK&#220;&#230;   > 00 4D 4B DC E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E6DC4B2000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E6DC4A72D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001E6DC4B67E0, 16 bytes long.
 Data: <&#184;qK&#220;&#230;           > B8 71 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E6DC4B6920, 16 bytes long.
 Data: < qK&#220;&#230;           > 90 71 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6DC4AFD10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001E6DC4B62E0, 16 bytes long.
 Data: <hqK&#220;&#230;           > 68 71 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6DC4B61A0, 16 bytes long.
 Data: <@qK&#220;&#230;           > 40 71 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6DC4B6BA0, 16 bytes long.
 Data: < qK&#220;&#230;           > 18 71 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6DC4B6290, 16 bytes long.
 Data: <&#240;pK&#220;&#230;           > F0 70 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6DC4B5640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001E6DC4B6830, 16 bytes long.
 Data: <&#168;&#234;I&#220;&#230;           > A8 EA 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6DC4AFDD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001E6DC4B6420, 16 bytes long.
 Data: < &#234;I&#220;&#230;           > 80 EA 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6DC4B63D0, 16 bytes long.
 Data: <X&#234;I&#220;&#230;           > 58 EA 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6DC4B6E20, 16 bytes long.
 Data: <0&#234;I&#220;&#230;           > 30 EA 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6DC4B5ED0, 16 bytes long.
 Data: < &#234;I&#220;&#230;           > 08 EA 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6DC4B6380, 16 bytes long.
 Data: <&#224;&#233;I&#220;&#230;           > E0 E9 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6DC4B6740, 16 bytes long.
 Data: <&#184;&#233;I&#220;&#230;           > B8 E9 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6DC4B0370, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001E6DC4B6240, 16 bytes long.
 Data: < &#233;I&#220;&#230;           > 90 E9 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6DC49E990, 320 bytes long.
 Data: <@bK&#220;&#230;   p K&#220;&#230;   > 40 62 4B DC E6 01 00 00 70 03 4B DC E6 01 00 00 
{276} normal block at 0x000001E6DC4B6100, 16 bytes long.
 Data: <&#208;pK&#220;&#230;           > D0 70 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6DC4B66F0, 16 bytes long.
 Data: <&#168;pK&#220;&#230;           > A8 70 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6DC4B03D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001E6DC4B6B50, 16 bytes long.
 Data: < pK&#220;&#230;           > 80 70 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6DC4AF9B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001E6DC4B60B0, 16 bytes long.
 Data: <&#200;oK&#220;&#230;           > C8 6F 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6DC4B6790, 16 bytes long.
 Data: <&#160;oK&#220;&#230;           > A0 6F 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6DC4B6880, 16 bytes long.
 Data: <xoK&#220;&#230;           > 78 6F 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6DC4B5FC0, 16 bytes long.
 Data: <PoK&#220;&#230;           > 50 6F 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6DC4B6970, 16 bytes long.
 Data: <(oK&#220;&#230;           > 28 6F 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6DC4B6BF0, 16 bytes long.
 Data: < oK&#220;&#230;           > 00 6F 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6DC4B61F0, 16 bytes long.
 Data: < XK&#220;&#230;           > 00 58 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6DC4B5800, 40 bytes long.
 Data: <&#240;aK&#220;&#230;   @T &#222;&#230;   > F0 61 4B DC E6 01 00 00 40 54 05 DE E6 01 00 00 
{262} normal block at 0x000001E6DC4B6470, 16 bytes long.
 Data: <&#224;nK&#220;&#230;           > E0 6E 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6DC4B6A10, 16 bytes long.
 Data: <&#184;nK&#220;&#230;           > B8 6E 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E6DC4AF950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001E6DC4B6AB0, 16 bytes long.
 Data: < nK&#220;&#230;           > 90 6E 4B DC E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E6DC4B6E90, 992 bytes long.
 Data: <&#176;jK&#220;&#230;   P&#249;J&#220;&#230;   > B0 6A 4B DC E6 01 00 00 50 F9 4A DC E6 01 00 00 
{94} normal block at 0x000001E6DC4AF890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001E6DC4AE360, 16 bytes long.
 Data: < &#248;I&#220;&#230;           > 10 F8 49 DC E6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E6DC49F810, 40 bytes long.
 Data: <`&#227;J&#220;&#230;    &#248;J&#220;&#230;   > 60 E3 4A DC E6 01 00 00 90 F8 4A DC E6 01 00 00 
{71} normal block at 0x000001E6DC4ADA00, 16 bytes long.
 Data: < &#234; &#190;&#246;           > 80 EA 04 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E6DC4ADC80, 16 bytes long.
 Data: <@&#233; &#190;&#246;           > 40 E9 04 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6DC4ADE10, 16 bytes long.
 Data: <&#248;W &#190;&#246;           > F8 57 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6DC4ADAA0, 16 bytes long.
 Data: <&#216;W &#190;&#246;           > D8 57 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6DC4AE1D0, 16 bytes long.
 Data: <P  &#190;&#246;           > 50 04 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6DC4AE4A0, 16 bytes long.
 Data: <0  &#190;&#246;           > 30 04 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6DC4ADFF0, 16 bytes long.
 Data: <&#224;  &#190;&#246;           > E0 02 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6DC4ADC30, 16 bytes long.
 Data: <   &#190;&#246;           > 10 04 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6DC4AE450, 16 bytes long.
 Data: <p  &#190;&#246;           > 70 04 01 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6DC4ADBE0, 16 bytes long.
 Data: < &#192;&#255;&#189;&#246;           > 18 C0 FF BD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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