Task 38688797

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8186_0
Workunit 31630112
Created 28 Oct 2026, 16:13:05 UTC
Sent 28 Oct 2026, 16:13:10 UTC
Report deadline 2 Nov 2026, 16:13:10 UTC
Received 28 Oct 2026, 16:29:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 51 sec
CPU time 12 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.94 MB
Peak swap size 13.14 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:14:02 (15728): wrapper (7.9.26016): starting
17:14:02 (15728): 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
17:14:03 (15728): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:14:03 (15728): 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
17:27:17 (15728): C:/Windows/system32/cmd.exe exited; CPU time 727.953125
17:27:17 (15728): 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: 10831045 bytes.
Dumping objects ->
{3835237} normal block at 0x00000126664859C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000012666484D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000012666485950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x00000126664853A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000012664655F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000012666428590, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001266643FF80, 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) : {3835148} normal block at 0x000001266464EE50, 8 bytes long.
 Data: <  `d&   > 00 00 60 64 26 01 00 00 
{3834544} normal block at 0x000001266643FAB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001266464E3B0, 8 bytes long.
 Data: <&#240;Ted&   > F0 54 65 64 26 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000126646525D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000012664647090, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000126646569F0, 16 bytes long.
 Data: <xxed&           > 78 78 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000126646568B0, 16 bytes long.
 Data: <Pxed&           > 50 78 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001266464FE80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000012664656630, 16 bytes long.
 Data: <(xed&           > 28 78 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012664657490, 16 bytes long.
 Data: < xed&           > 00 78 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000126646573F0, 16 bytes long.
 Data: <&#216;wed&           > D8 77 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012664656F90, 16 bytes long.
 Data: <&#176;wed&           > B0 77 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012664655D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000012664656EA0, 16 bytes long.
 Data: <&#216;&#245;cd&           > D8 F5 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000126646500C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000012664657440, 16 bytes long.
 Data: <&#176;&#245;cd&           > B0 F5 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012664656D60, 16 bytes long.
 Data: < &#245;cd&           > 88 F5 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012664656860, 16 bytes long.
 Data: <`&#245;cd&           > 60 F5 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012664656720, 16 bytes long.
 Data: <8&#245;cd&           > 38 F5 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012664657350, 16 bytes long.
 Data: < &#245;cd&           > 10 F5 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012664656A40, 16 bytes long.
 Data: <&#232;&#244;cd&           > E8 F4 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001266464FF40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000012664657120, 16 bytes long.
 Data: <&#192;&#244;cd&           > C0 F4 63 64 26 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001266463F4C0, 320 bytes long.
 Data: < qed&   @&#255;dd&   > 20 71 65 64 26 01 00 00 40 FF 64 64 26 01 00 00 
{277} normal block at 0x00000126646567C0, 16 bytes long.
 Data: < wed&           > 90 77 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012664656E50, 16 bytes long.
 Data: <hwed&           > 68 77 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001266464FD00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000012664656D10, 16 bytes long.
 Data: <@wed&           > 40 77 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000126646507E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000012664656DB0, 16 bytes long.
 Data: < ved&           > 88 76 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000126646573A0, 16 bytes long.
 Data: <`ved&           > 60 76 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000126646566D0, 16 bytes long.
 Data: <8ved&           > 38 76 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012664656590, 16 bytes long.
 Data: < ved&           > 10 76 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012664656B80, 16 bytes long.
 Data: <&#232;ued&           > E8 75 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012664657300, 16 bytes long.
 Data: <&#192;ued&           > C0 75 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000126646572B0, 16 bytes long.
 Data: < `ed&           > 20 60 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012664656020, 40 bytes long.
 Data: <&#176;red&    &#133;Bf&   > B0 72 65 64 26 01 00 00 90 85 42 66 26 01 00 00 
{263} normal block at 0x0000012664656680, 16 bytes long.
 Data: <&#160;ued&           > A0 75 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000126646574E0, 16 bytes long.
 Data: <xued&           > 78 75 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012664650180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000012664657260, 16 bytes long.
 Data: <Pued&           > 50 75 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012664657550, 992 bytes long.
 Data: <`red&     ed&   > 60 72 65 64 26 01 00 00 80 01 65 64 26 01 00 00 
{95} normal block at 0x0000012664650480, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001266464F030, 16 bytes long.
 Data: <&#176;_ed&           > B0 5F 65 64 26 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000012664655FB0, 40 bytes long.
 Data: <0&#240;dd&     ed&   > 30 F0 64 64 26 01 00 00 80 04 65 64 26 01 00 00 
{72} normal block at 0x000001266464E860, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001266464E540, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001266464E310, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001266464E950, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001266464E810, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001266464EFE0, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001266464F080, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001266464E900, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001266464E220, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001266464E8B0, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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