Task 38669799

Name test_833-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND1803_0
Workunit 31612108
Created 25 Oct 2026, 15:37:41 UTC
Sent 25 Oct 2026, 15:37:41 UTC
Report deadline 30 Oct 2026, 15:37:41 UTC
Received 25 Oct 2026, 16:16:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 33 min 35 sec
CPU time 32 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.34 GB
Peak swap size 6.86 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:42:54 (13212): wrapper (7.9.26016): starting
10:42:54 (13212): 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
10:42:55 (13212): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:55 (13212): 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\2\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\2\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
11:15:28 (13212): C:/Windows/system32/cmd.exe exited; CPU time 1950.359375
11:15:28 (13212): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 25956373 bytes.
Dumping objects ->
{3835250} normal block at 0x00000288F2ABD700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x00000288F2ABDE00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000288F2ABDD20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x00000288F0E95060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000288F0E95450, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x00000288F2B07530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x00000288F2B1F3A0, 102 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) : {3835161} normal block at 0x00000288F0E8DB40, 8 bytes long.
 Data: <  &#223;&#240;    > 00 00 DF F0 88 02 00 00 
{3834554} normal block at 0x00000288F2B1EE20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000288F0E8DCD0, 8 bytes long.
 Data: <&#240;T&#182;&#242;    > F0 54 B6 F2 88 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000288F0E914C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000288F0E86C80, 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 0x00000288F0E95FC0, 16 bytes long.
 Data: <&#184;l&#233;&#240;            > B8 6C E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000288F0E95A70, 16 bytes long.
 Data: < l&#233;&#240;            > 90 6C E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000288F0E90170, 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 0x00000288F0E965B0, 16 bytes long.
 Data: <hl&#233;&#240;            > 68 6C E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000288F0E95ED0, 16 bytes long.
 Data: <@l&#233;&#240;            > 40 6C E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000288F0E95F70, 16 bytes long.
 Data: < l&#233;&#240;            > 18 6C E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000288F0E96510, 16 bytes long.
 Data: <&#240;k&#233;&#240;            > F0 6B E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000288F0E95290, 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 0x00000288F0E95F20, 16 bytes long.
 Data: <&#200;&#246;&#231;&#240;            > C8 F6 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000288F0E8F4B0, 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 0x00000288F0E95BB0, 16 bytes long.
 Data: <&#160;&#246;&#231;&#240;            > A0 F6 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000288F0E95CA0, 16 bytes long.
 Data: <x&#246;&#231;&#240;            > 78 F6 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000288F0E96790, 16 bytes long.
 Data: <P&#246;&#231;&#240;            > 50 F6 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000288F0E95C00, 16 bytes long.
 Data: <(&#246;&#231;&#240;            > 28 F6 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000288F0E95E80, 16 bytes long.
 Data: < &#246;&#231;&#240;            > 00 F6 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000288F0E96290, 16 bytes long.
 Data: <&#216;&#245;&#231;&#240;            > D8 F5 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000288F0E8FFF0, 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 0x00000288F0E96240, 16 bytes long.
 Data: <&#176;&#245;&#231;&#240;            > B0 F5 E7 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000288F0E7F5B0, 320 bytes long.
 Data: <@b&#233;&#240;    &#240;&#255;&#232;&#240;    > 40 62 E9 F0 88 02 00 00 F0 FF E8 F0 88 02 00 00 
{276} normal block at 0x00000288F0E95A20, 16 bytes long.
 Data: <&#208;k&#233;&#240;            > D0 6B E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000288F0E95B10, 16 bytes long.
 Data: <&#168;k&#233;&#240;            > A8 6B E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000288F0E8F6F0, 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 0x00000288F0E95DE0, 16 bytes long.
 Data: < k&#233;&#240;            > 80 6B E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000288F0E8F450, 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 0x00000288F0E96420, 16 bytes long.
 Data: <&#200;j&#233;&#240;            > C8 6A E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000288F0E959D0, 16 bytes long.
 Data: <&#160;j&#233;&#240;            > A0 6A E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000288F0E95D90, 16 bytes long.
 Data: <xj&#233;&#240;            > 78 6A E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000288F0E968D0, 16 bytes long.
 Data: <Pj&#233;&#240;            > 50 6A E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000288F0E966F0, 16 bytes long.
 Data: <(j&#233;&#240;            > 28 6A E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000288F0E966A0, 16 bytes long.
 Data: < j&#233;&#240;            > 00 6A E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000288F0E95B60, 16 bytes long.
 Data: <pS&#233;&#240;            > 70 53 E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000288F0E95370, 40 bytes long.
 Data: <`[&#233;&#240;    0u&#176;&#242;    > 60 5B E9 F0 88 02 00 00 30 75 B0 F2 88 02 00 00 
{262} normal block at 0x00000288F0E961F0, 16 bytes long.
 Data: <&#224;i&#233;&#240;            > E0 69 E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000288F0E95AC0, 16 bytes long.
 Data: <&#184;i&#233;&#240;            > B8 69 E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000288F0E8F3F0, 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 0x00000288F0E96740, 16 bytes long.
 Data: < i&#233;&#240;            > 90 69 E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000288F0E96990, 992 bytes long.
 Data: <@g&#233;&#240;    &#240;&#243;&#232;&#240;    > 40 67 E9 F0 88 02 00 00 F0 F3 E8 F0 88 02 00 00 
{94} normal block at 0x00000288F0E8F390, 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 0x00000288F0E8DAF0, 16 bytes long.
 Data: < O&#233;&#240;            > 10 4F E9 F0 88 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000288F0E94F10, 40 bytes long.
 Data: <&#240;&#218;&#232;&#240;     &#243;&#232;&#240;    > F0 DA E8 F0 88 02 00 00 90 F3 E8 F0 88 02 00 00 
{71} normal block at 0x00000288F0E8E270, 16 bytes long.
 Data: < &#234;&#240;&#228;&#247;           > 80 EA F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000288F0E8D780, 16 bytes long.
 Data: <@&#233;&#240;&#228;&#247;           > 40 E9 F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000288F0E8D640, 16 bytes long.
 Data: <&#248;W&#237;&#228;&#247;           > F8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000288F0E8DAA0, 16 bytes long.
 Data: <&#216;W&#237;&#228;&#247;           > D8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000288F0E8D960, 16 bytes long.
 Data: <P &#237;&#228;&#247;           > 50 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000288F0E8D5A0, 16 bytes long.
 Data: <0 &#237;&#228;&#247;           > 30 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000288F0E8E130, 16 bytes long.
 Data: <&#224; &#237;&#228;&#247;           > E0 02 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000288F0E8DC80, 16 bytes long.
 Data: <  &#237;&#228;&#247;           > 10 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000288F0E8E3B0, 16 bytes long.
 Data: <p &#237;&#228;&#247;           > 70 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000288F0E8E310, 16 bytes long.
 Data: < &#192;&#235;&#228;&#247;           > 18 C0 EB E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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