Task 38699546

Name test_415-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0357_0
Workunit 31639937
Created 4 Nov 2026, 15:03:19 UTC
Sent 4 Nov 2026, 15:03:21 UTC
Report deadline 9 Nov 2026, 15:03:21 UTC
Received 4 Nov 2026, 16:08:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 1 hours 3 min 34 sec
CPU time 59 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.70 MB
Peak swap size 3.87 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:05:37 (2180): wrapper (7.9.26016): starting
16:05:37 (2180): 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
16:05:40 (2180): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:05:40 (2180): 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\3\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\3\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
17:07:21 (2180): C:/Windows/system32/cmd.exe exited; CPU time 3572.546875
17:07:21 (2180): 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: 44922717 bytes.
Dumping objects ->
{3835420} normal block at 0x0000015CD85B9660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x0000015CD85B99E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x0000015CD85B9120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x0000015CD85B8E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x0000015CD6A7BED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x0000015CD855D650, 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) : {3835332} normal block at 0x0000015CD6A76810, 8 bytes long.
 Data: <  H&#216;\   > 00 00 48 D8 5C 01 00 00 
{3833953} normal block at 0x0000015CD6A76900, 8 bytes long.
 Data: <  [&#216;\   > 00 7F 5B D8 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000015CD6A805B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015CD6A65B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000015CD6A81870, 16 bytes long.
 Data: <X,&#168;&#214;\           > 58 2C A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015CD6A81820, 16 bytes long.
 Data: <0,&#168;&#214;\           > 30 2C A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015CD6A775C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000015CD6A817D0, 16 bytes long.
 Data: < ,&#168;&#214;\           > 08 2C A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015CD6A81FF0, 16 bytes long.
 Data: <&#224;+&#168;&#214;\           > E0 2B A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015CD6A81FA0, 16 bytes long.
 Data: <&#184;+&#168;&#214;\           > B8 2B A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015CD6A820E0, 16 bytes long.
 Data: < +&#168;&#214;\           > 90 2B A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015CD6A7B920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000015CD6A81D70, 16 bytes long.
 Data: < Z&#166;&#214;\           > 98 5A A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015CD6A76EA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000015CD6A81D20, 16 bytes long.
 Data: <pZ&#166;&#214;\           > 70 5A A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015CD6A81780, 16 bytes long.
 Data: <HZ&#166;&#214;\           > 48 5A A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015CD6A816E0, 16 bytes long.
 Data: < Z&#166;&#214;\           > 20 5A A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015CD6A81B40, 16 bytes long.
 Data: <&#248;Y&#166;&#214;\           > F8 59 A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015CD6A81BE0, 16 bytes long.
 Data: <&#208;Y&#166;&#214;\           > D0 59 A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015CD6A81F50, 16 bytes long.
 Data: <&#168;Y&#166;&#214;\           > A8 59 A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015CD6A76D20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000015CD6A813C0, 16 bytes long.
 Data: < Y&#166;&#214;\           > 80 59 A6 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015CD6A65980, 320 bytes long.
 Data: <&#192; &#168;&#214;\    m&#167;&#214;\   > C0 13 A8 D6 5C 01 00 00 20 6D A7 D6 5C 01 00 00 
{272} normal block at 0x0000015CD6A81C30, 16 bytes long.
 Data: <p+&#168;&#214;\           > 70 2B A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015CD6A81C80, 16 bytes long.
 Data: <H+&#168;&#214;\           > 48 2B A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015CD6A77440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000015CD6A81F00, 16 bytes long.
 Data: < +&#168;&#214;\           > 20 2B A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015CD6A77140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000015CD6A814B0, 16 bytes long.
 Data: <h*&#168;&#214;\           > 68 2A A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015CD6A81E10, 16 bytes long.
 Data: <@*&#168;&#214;\           > 40 2A A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015CD6A82040, 16 bytes long.
 Data: < *&#168;&#214;\           > 18 2A A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015CD6A81B90, 16 bytes long.
 Data: <&#240;)&#168;&#214;\           > F0 29 A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015CD6A81460, 16 bytes long.
 Data: <&#200;)&#168;&#214;\           > C8 29 A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015CD6A82310, 16 bytes long.
 Data: <&#160;)&#168;&#214;\           > A0 29 A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015CD6A81690, 16 bytes long.
 Data: < &#185;&#167;&#214;\           > 90 B9 A7 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015CD6A7B990, 40 bytes long.
 Data: <  &#168;&#214;\   P&#214;U&#216;\   > 90 16 A8 D6 5C 01 00 00 50 D6 55 D8 5C 01 00 00 
{258} normal block at 0x0000015CD6A81910, 16 bytes long.
 Data: < )&#168;&#214;\           > 80 29 A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015CD6A815F0, 16 bytes long.
 Data: <X)&#168;&#214;\           > 58 29 A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015CD6A76D80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000015CD6A82130, 16 bytes long.
 Data: <0)&#168;&#214;\           > 30 29 A8 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015CD6A82930, 992 bytes long.
 Data: <0!&#168;&#214;\    m&#167;&#214;\   > 30 21 A8 D6 5C 01 00 00 80 6D A7 D6 5C 01 00 00 
{90} normal block at 0x0000015CD6A76C00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000015CD6A76590, 16 bytes long.
 Data: <&#208;&#183;&#167;&#214;\           > D0 B7 A7 D6 5C 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000015CD6A7B7D0, 40 bytes long.
 Data: < e&#167;&#214;\    l&#167;&#214;\   > 90 65 A7 D6 5C 01 00 00 00 6C A7 D6 5C 01 00 00 
{67} normal block at 0x0000015CD6A76450, 16 bytes long.
 Data: < &#234;&#154;B&#246;           > 80 EA 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015CD6A75C80, 16 bytes long.
 Data: <@&#233;&#154;B&#246;           > 40 E9 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015CD6A76040, 16 bytes long.
 Data: <&#248;W&#151;B&#246;           > F8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015CD6A76680, 16 bytes long.
 Data: <&#216;W&#151;B&#246;           > D8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015CD6A75AF0, 16 bytes long.
 Data: <P &#151;B&#246;           > 50 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015CD6A76630, 16 bytes long.
 Data: <0 &#151;B&#246;           > 30 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015CD6A75F50, 16 bytes long.
 Data: <&#224; &#151;B&#246;           > E0 02 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015CD6A75F00, 16 bytes long.
 Data: <  &#151;B&#246;           > 10 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015CD6A75EB0, 16 bytes long.
 Data: <p &#151;B&#246;           > 70 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015CD6A75FF0, 16 bytes long.
 Data: < &#192;&#149;B&#246;           > 18 C0 95 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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