Task 38681590

Name test_343-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3436_0
Workunit 31623251
Created 27 Oct 2026, 4:32:59 UTC
Sent 27 Oct 2026, 4:33:15 UTC
Report deadline 1 Nov 2026, 4:33:15 UTC
Received 27 Oct 2026, 23:18:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 2 sec
CPU time 26 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.20 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:50:29 (8844): wrapper (7.9.26016): starting
23:50:29 (8844): 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
23:50:30 (8844): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:50:30 (8844): 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:\BOINC\ProgramData\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:\BOINC\ProgramData\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
00:17:31 (8844): C:/Windows/system32/cmd.exe exited; CPU time 1602.984375
00:17:31 (8844): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19634089 bytes.
Dumping objects ->
{3835241} normal block at 0x000001EE890312E0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000001EE89030E80, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000001EE89030E10, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000001EE89030EF0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000001EE89031190, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000001EE89124C40, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000001EE89050C70, 160 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) : {3835152} normal block at 0x000001EE87638620, 8 bytes long.
 Data: <  _&#135;&#238;   > 00 00 5F 87 EE 01 00 00 
{3834548} normal block at 0x000001EE89050AB0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001EE87637EA0, 8 bytes long.
 Data: < &#205; &#137;&#238;   > 80 CD 13 89 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EE87642FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE8762B5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001EE876441B0, 16 bytes long.
 Data: <XSd&#135;&#238;           > 58 53 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE876446B0, 16 bytes long.
 Data: <0Sd&#135;&#238;           > 30 53 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE8763D050, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001EE876445C0, 16 bytes long.
 Data: < Sd&#135;&#238;           > 08 53 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE87644A20, 16 bytes long.
 Data: <&#224;Rd&#135;&#238;           > E0 52 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE87644480, 16 bytes long.
 Data: <&#184;Rd&#135;&#238;           > B8 52 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EE87644160, 16 bytes long.
 Data: < Rd&#135;&#238;           > 90 52 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE8763F000, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001EE87644930, 16 bytes long.
 Data: < bb&#135;&#238;           > 98 62 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE8763CBD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001EE87644890, 16 bytes long.
 Data: <pbb&#135;&#238;           > 70 62 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE87644B10, 16 bytes long.
 Data: <Hbb&#135;&#238;           > 48 62 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE876447F0, 16 bytes long.
 Data: < bb&#135;&#238;           > 20 62 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE87644660, 16 bytes long.
 Data: <&#248;ab&#135;&#238;           > F8 61 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE87644F20, 16 bytes long.
 Data: <&#208;ab&#135;&#238;           > D0 61 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EE87644610, 16 bytes long.
 Data: <&#168;ab&#135;&#238;           > A8 61 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE8763D170, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001EE876443E0, 16 bytes long.
 Data: < ab&#135;&#238;           > 80 61 62 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE87626180, 320 bytes long.
 Data: <&#224;Cd&#135;&#238;   p&#209;c&#135;&#238;   > E0 43 64 87 EE 01 00 00 70 D1 63 87 EE 01 00 00 
{271} normal block at 0x000001EE876444D0, 16 bytes long.
 Data: <pRd&#135;&#238;           > 70 52 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE87644110, 16 bytes long.
 Data: <HRd&#135;&#238;           > 48 52 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE8763C930, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001EE876448E0, 16 bytes long.
 Data: < Rd&#135;&#238;           > 20 52 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE8763CD50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001EE87644070, 16 bytes long.
 Data: <hQd&#135;&#238;           > 68 51 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE876442F0, 16 bytes long.
 Data: <@Qd&#135;&#238;           > 40 51 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE87644CF0, 16 bytes long.
 Data: < Qd&#135;&#238;           > 18 51 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE87644ED0, 16 bytes long.
 Data: <&#240;Pd&#135;&#238;           > F0 50 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE87644340, 16 bytes long.
 Data: <&#200;Pd&#135;&#238;           > C8 50 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE876442A0, 16 bytes long.
 Data: <&#160;Pd&#135;&#238;           > A0 50 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EE87644840, 16 bytes long.
 Data: <&#224;&#233;c&#135;&#238;           > E0 E9 63 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE8763E9E0, 40 bytes long.
 Data: <@Hd&#135;&#238;   @L &#137;&#238;   > 40 48 64 87 EE 01 00 00 40 4C 12 89 EE 01 00 00 
{257} normal block at 0x000001EE87644F70, 16 bytes long.
 Data: < Pd&#135;&#238;           > 80 50 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EE87644250, 16 bytes long.
 Data: <XPd&#135;&#238;           > 58 50 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EE8763D4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001EE87644E30, 16 bytes long.
 Data: <0Pd&#135;&#238;           > 30 50 64 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EE87645030, 992 bytes long.
 Data: <0Nd&#135;&#238;   &#208;&#212;c&#135;&#238;   > 30 4E 64 87 EE 01 00 00 D0 D4 63 87 EE 01 00 00 
{89} normal block at 0x000001EE8763CED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001EE87637A40, 16 bytes long.
 Data: <p&#240;c&#135;&#238;           > 70 F0 63 87 EE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001EE8763F070, 40 bytes long.
 Data: <@zc&#135;&#238;   &#208;&#206;c&#135;&#238;   > 40 7A 63 87 EE 01 00 00 D0 CE 63 87 EE 01 00 00 
{66} normal block at 0x000001EE87638580, 16 bytes long.
 Data: < &#234; !&#247;           > 80 EA 07 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE87637FE0, 16 bytes long.
 Data: <@&#233; !&#247;           > 40 E9 07 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE87637F90, 16 bytes long.
 Data: <&#248;W !&#247;           > F8 57 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE87637B30, 16 bytes long.
 Data: <&#216;W !&#247;           > D8 57 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE87638300, 16 bytes long.
 Data: <P  !&#247;           > 50 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE87637D60, 16 bytes long.
 Data: <0  !&#247;           > 30 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EE876385D0, 16 bytes long.
 Data: <&#224;  !&#247;           > E0 02 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EE87638800, 16 bytes long.
 Data: <   !&#247;           > 10 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EE87637EF0, 16 bytes long.
 Data: <p  !&#247;           > 70 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EE87638710, 16 bytes long.
 Data: < &#192; !&#247;           > 18 C0 02 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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