Task 38698358

Name test_11-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4195_1
Workunit 31638682
Created 2 Nov 2026, 10:59:04 UTC
Sent 2 Nov 2026, 10:59:11 UTC
Report deadline 7 Nov 2026, 10:59:11 UTC
Received 3 Nov 2026, 7:38:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 3 min 22 sec
CPU time 56 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 654.82 MB
Peak swap size 2.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:34:49 (7784): wrapper (7.9.26016): starting
07:34:49 (7784): 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
07:34:55 (7784): Library/usr/bin/tar.exe exited; CPU time 0.109375
07:34:55 (7784): 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
08:36:34 (7784): C:/Windows/system32/cmd.exe exited; CPU time 3374.859375
08:36:34 (7784): 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: 51345047 bytes.
Dumping objects ->
{3835417} normal block at 0x000001B8AA1210D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x000001B8AA121370, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x000001B8AA1218B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835384} normal block at 0x000001B8AA121920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835373} normal block at 0x000001B8AA121300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835342} normal block at 0x000001B8AA24BB40, 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) : {3835328} normal block at 0x000001B8A8746D70, 8 bytes long.
 Data: <   &#170;&#184;   > 00 00 15 AA B8 01 00 00 
{3833949} normal block at 0x000001B8A8746C80, 8 bytes long.
 Data: <@&#166;s&#168;&#184;   > 40 A6 73 A8 B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001B8A8751160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B8A8735C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001B8A87522E0, 16 bytes long.
 Data: < 7u&#168;&#184;           > 98 37 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B8A8752740, 16 bytes long.
 Data: <p7u&#168;&#184;           > 70 37 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B8A874C6B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001B8A8752240, 16 bytes long.
 Data: <H7u&#168;&#184;           > 48 37 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B8A8752290, 16 bytes long.
 Data: < 7u&#168;&#184;           > 20 37 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B8A87526A0, 16 bytes long.
 Data: <&#248;6u&#168;&#184;           > F8 36 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B8A8752FB0, 16 bytes long.
 Data: <&#208;6u&#168;&#184;           > D0 36 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B8A874B6E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001B8A8752B50, 16 bytes long.
 Data: < \s&#168;&#184;           > 08 5C 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B8A874D2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001B8A87525B0, 16 bytes long.
 Data: <&#224;[s&#168;&#184;           > E0 5B 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B8A8752880, 16 bytes long.
 Data: <&#184;[s&#168;&#184;           > B8 5B 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B8A8752B00, 16 bytes long.
 Data: < [s&#168;&#184;           > 90 5B 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B8A8752A60, 16 bytes long.
 Data: <h[s&#168;&#184;           > 68 5B 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B8A8752E20, 16 bytes long.
 Data: <@[s&#168;&#184;           > 40 5B 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B8A8752560, 16 bytes long.
 Data: < [s&#168;&#184;           > 18 5B 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B8A874CF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001B8A87520B0, 16 bytes long.
 Data: <&#240;Zs&#168;&#184;           > F0 5A 73 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B8A8735AF0, 320 bytes long.
 Data: <&#176; u&#168;&#184;   P&#207;t&#168;&#184;   > B0 20 75 A8 B8 01 00 00 50 CF 74 A8 B8 01 00 00 
{270} normal block at 0x000001B8A8752470, 16 bytes long.
 Data: <&#176;6u&#168;&#184;           > B0 36 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B8A87521A0, 16 bytes long.
 Data: < 6u&#168;&#184;           > 88 36 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B8A874CDD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001B8A8752F60, 16 bytes long.
 Data: <`6u&#168;&#184;           > 60 36 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B8A874C710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001B8A8752D30, 16 bytes long.
 Data: <&#168;5u&#168;&#184;           > A8 35 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B8A8752AB0, 16 bytes long.
 Data: < 5u&#168;&#184;           > 80 35 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B8A87523D0, 16 bytes long.
 Data: <X5u&#168;&#184;           > 58 35 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B8A8752380, 16 bytes long.
 Data: <05u&#168;&#184;           > 30 35 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B8A8752150, 16 bytes long.
 Data: < 5u&#168;&#184;           > 08 35 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B8A8752DD0, 16 bytes long.
 Data: <&#224;4u&#168;&#184;           > E0 34 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B8A8752420, 16 bytes long.
 Data: <0&#177;t&#168;&#184;           > 30 B1 74 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B8A874B130, 40 bytes long.
 Data: < $u&#168;&#184;   @&#187;$&#170;&#184;   > 20 24 75 A8 B8 01 00 00 40 BB 24 AA B8 01 00 00 
{256} normal block at 0x000001B8A8752F10, 16 bytes long.
 Data: <&#192;4u&#168;&#184;           > C0 34 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B8A8752A10, 16 bytes long.
 Data: < 4u&#168;&#184;           > 98 34 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B8A874CD10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001B8A8752970, 16 bytes long.
 Data: <p4u&#168;&#184;           > 70 34 75 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B8A8753470, 992 bytes long.
 Data: <p)u&#168;&#184;    &#205;t&#168;&#184;   > 70 29 75 A8 B8 01 00 00 10 CD 74 A8 B8 01 00 00 
{88} normal block at 0x000001B8A874CB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001B8A8746BE0, 16 bytes long.
 Data: <p&#182;t&#168;&#184;           > 70 B6 74 A8 B8 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001B8A874B670, 40 bytes long.
 Data: <&#224;kt&#168;&#184;    &#203;t&#168;&#184;   > E0 6B 74 A8 B8 01 00 00 90 CB 74 A8 B8 01 00 00 
{65} normal block at 0x000001B8A8746FF0, 16 bytes long.
 Data: < &#234;&#156;&#159;&#246;           > 80 EA 9C 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B8A87464B0, 16 bytes long.
 Data: <@&#233;&#156;&#159;&#246;           > 40 E9 9C 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B8A8746AA0, 16 bytes long.
 Data: <&#248;W &#159;&#246;           > F8 57 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B8A8746EB0, 16 bytes long.
 Data: <&#216;W &#159;&#246;           > D8 57 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B8A8746B90, 16 bytes long.
 Data: <P  &#159;&#246;           > 50 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B8A8747310, 16 bytes long.
 Data: <0  &#159;&#246;           > 30 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B8A8746A50, 16 bytes long.
 Data: <&#224;  &#159;&#246;           > E0 02 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B8A87471D0, 16 bytes long.
 Data: <   &#159;&#246;           > 10 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B8A8746B40, 16 bytes long.
 Data: <p  &#159;&#246;           > 70 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B8A87465A0, 16 bytes long.
 Data: < &#192;&#151;&#159;&#246;           > 18 C0 97 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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