Task 38657973

Name test_758-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND3387_0
Workunit 31601585
Created 24 Oct 2026, 12:12:05 UTC
Sent 24 Oct 2026, 13:24:53 UTC
Report deadline 29 Oct 2026, 13:24:53 UTC
Received 24 Oct 2026, 14:41:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622645
Run time 19 min 29 sec
CPU time 18 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,093.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.75 MB
Peak swap size 6.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:22:14 (58568): wrapper (7.9.26016): starting
16:22:14 (58568): 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
16:22:15 (58568): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:22:15 (58568): 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
16:40:45 (58568): C:/Windows/system32/cmd.exe exited; CPU time 1091.843750
16:40:45 (58568): 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: 22898939 bytes.
Dumping objects ->
{3835277} normal block at 0x0000018346A7BA80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000018346A7BBD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000018346A54D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000018346A55380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000018346A55150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x00000183487C6600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000183487DF230, 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) : {3835188} normal block at 0x0000018346A4FBE0, 8 bytes long.
 Data: <  &#235;F&#131;   > 00 00 EB 46 83 01 00 00 
{3834570} normal block at 0x00000183487DE940, 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 0x0000018346A4EE70, 8 bytes long.
 Data: <p&#218;&#163;F&#131;   > 70 DA A3 46 83 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018346A4D960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018346A45990, 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 0x0000018346A563F0, 16 bytes long.
 Data: <&#232;k&#165;F&#131;           > E8 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018346A56710, 16 bytes long.
 Data: <&#192;k&#165;F&#131;           > C0 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018346A500F0, 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 0x0000018346A55950, 16 bytes long.
 Data: < k&#165;F&#131;           > 98 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018346A56530, 16 bytes long.
 Data: <pk&#165;F&#131;           > 70 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018346A56350, 16 bytes long.
 Data: <Hk&#165;F&#131;           > 48 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018346A55CC0, 16 bytes long.
 Data: < k&#165;F&#131;           > 20 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018346A55000, 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 0x0000018346A56030, 16 bytes long.
 Data: <&#200;&#245;&#163;F&#131;           > C8 F5 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018346A50030, 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 0x0000018346A56670, 16 bytes long.
 Data: <&#160;&#245;&#163;F&#131;           > A0 F5 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018346A55FE0, 16 bytes long.
 Data: <x&#245;&#163;F&#131;           > 78 F5 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018346A55D60, 16 bytes long.
 Data: <P&#245;&#163;F&#131;           > 50 F5 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018346A55C70, 16 bytes long.
 Data: <(&#245;&#163;F&#131;           > 28 F5 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018346A56580, 16 bytes long.
 Data: < &#245;&#163;F&#131;           > 00 F5 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018346A56490, 16 bytes long.
 Data: <&#216;&#244;&#163;F&#131;           > D8 F4 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018346A50090, 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 0x0000018346A56260, 16 bytes long.
 Data: <&#176;&#244;&#163;F&#131;           > B0 F4 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018346A3F4B0, 320 bytes long.
 Data: <`b&#165;F&#131;     &#165;F&#131;   > 60 62 A5 46 83 01 00 00 90 00 A5 46 83 01 00 00 
{276} normal block at 0x0000018346A566C0, 16 bytes long.
 Data: < k&#165;F&#131;           > 00 6B A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018346A55EA0, 16 bytes long.
 Data: <&#216;j&#165;F&#131;           > D8 6A A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018346A506F0, 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 0x0000018346A55F90, 16 bytes long.
 Data: <&#176;j&#165;F&#131;           > B0 6A A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018346A50750, 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 0x0000018346A55900, 16 bytes long.
 Data: <&#248;i&#165;F&#131;           > F8 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018346A55B80, 16 bytes long.
 Data: <&#208;i&#165;F&#131;           > D0 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018346A55C20, 16 bytes long.
 Data: <&#168;i&#165;F&#131;           > A8 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018346A562B0, 16 bytes long.
 Data: < i&#165;F&#131;           > 80 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018346A55AE0, 16 bytes long.
 Data: <Xi&#165;F&#131;           > 58 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018346A564E0, 16 bytes long.
 Data: <0i&#165;F&#131;           > 30 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018346A563A0, 16 bytes long.
 Data: <&#160;R&#165;F&#131;           > A0 52 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018346A552A0, 40 bytes long.
 Data: <&#160;c&#165;F&#131;    f|H&#131;   > A0 63 A5 46 83 01 00 00 00 66 7C 48 83 01 00 00 
{262} normal block at 0x0000018346A55A90, 16 bytes long.
 Data: < i&#165;F&#131;           > 10 69 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018346A55A40, 16 bytes long.
 Data: <&#232;h&#165;F&#131;           > E8 68 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018346A50810, 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 0x0000018346A56300, 16 bytes long.
 Data: <&#192;h&#165;F&#131;           > C0 68 A5 46 83 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018346A568C0, 992 bytes long.
 Data: < c&#165;F&#131;     &#165;F&#131;   > 00 63 A5 46 83 01 00 00 10 08 A5 46 83 01 00 00 
{94} normal block at 0x0000018346A503F0, 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 0x0000018346A4F370, 16 bytes long.
 Data: <`&#232;&#163;F&#131;           > 60 E8 A3 46 83 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000018346A3E860, 40 bytes long.
 Data: <p&#243;&#164;F&#131;   &#240; &#165;F&#131;   > 70 F3 A4 46 83 01 00 00 F0 03 A5 46 83 01 00 00 
{71} normal block at 0x0000018346A4EFB0, 16 bytes long.
 Data: < &#234;&#145;&#175;&#247;           > 80 EA 91 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018346A4FCD0, 16 bytes long.
 Data: <@&#233;&#145;&#175;&#247;           > 40 E9 91 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018346A4F910, 16 bytes long.
 Data: <&#248;W&#142;&#175;&#247;           > F8 57 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018346A4F690, 16 bytes long.
 Data: <&#216;W&#142;&#175;&#247;           > D8 57 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018346A4F0F0, 16 bytes long.
 Data: <P &#142;&#175;&#247;           > 50 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018346A4F4B0, 16 bytes long.
 Data: <0 &#142;&#175;&#247;           > 30 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018346A4F3C0, 16 bytes long.
 Data: <&#224; &#142;&#175;&#247;           > E0 02 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018346A4EF60, 16 bytes long.
 Data: <  &#142;&#175;&#247;           > 10 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018346A4FB40, 16 bytes long.
 Data: <p &#142;&#175;&#247;           > 70 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018346A4F730, 16 bytes long.
 Data: < &#192;&#140;&#175;&#247;           > 18 C0 8C AF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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