Task 38667481

Name test_694-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6323_0
Workunit 31610103
Created 25 Oct 2026, 8:06:59 UTC
Sent 25 Oct 2026, 8:07:07 UTC
Report deadline 30 Oct 2026, 8:07:07 UTC
Received 25 Oct 2026, 11:04:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 24 min 13 sec
CPU time 23 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.12 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:40:21 (13732): wrapper (7.9.26016): starting
06:40:21 (13732): 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
06:40:22 (13732): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:40:22 (13732): 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
07:03:52 (13732): C:/Windows/system32/cmd.exe exited; CPU time 1385.031250
07:03:52 (13732): 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: 26856851 bytes.
Dumping objects ->
{3835219} normal block at 0x000001849EA557F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001849EA55710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001849EA556A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001849EA55630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001849EA558D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000184A082E440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x00000184A088F580, 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) : {3835130} normal block at 0x000001849EA4F000, 8 bytes long.
 Data: <  &#254;&#158;&#132;   > 00 00 FE 9E 84 01 00 00 
{3834528} normal block at 0x00000184A088F840, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001849EA4FD20, 8 bytes long.
 Data: < &#209;q&#160;&#132;   > 20 D1 71 A0 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001849EA52100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001849EA3FB30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001849EA56CF0, 16 bytes long.
 Data: <&#184;r&#165;&#158;&#132;           > B8 72 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001849EA56930, 16 bytes long.
 Data: < r&#165;&#158;&#132;           > 90 72 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001849EA50490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001849EA564D0, 16 bytes long.
 Data: <hr&#165;&#158;&#132;           > 68 72 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001849EA568E0, 16 bytes long.
 Data: <@r&#165;&#158;&#132;           > 40 72 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001849EA56890, 16 bytes long.
 Data: < r&#165;&#158;&#132;           > 18 72 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001849EA567F0, 16 bytes long.
 Data: <&#240;q&#165;&#158;&#132;           > F0 71 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001849EA55B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001849EA567A0, 16 bytes long.
 Data: <xS&#165;&#158;&#132;           > 78 53 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001849EA4FEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001849EA56A70, 16 bytes long.
 Data: <PS&#165;&#158;&#132;           > 50 53 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001849EA566B0, 16 bytes long.
 Data: <(S&#165;&#158;&#132;           > 28 53 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001849EA562A0, 16 bytes long.
 Data: < S&#165;&#158;&#132;           > 00 53 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001849EA56070, 16 bytes long.
 Data: <&#216;R&#165;&#158;&#132;           > D8 52 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001849EA561B0, 16 bytes long.
 Data: <&#176;R&#165;&#158;&#132;           > B0 52 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001849EA56660, 16 bytes long.
 Data: < R&#165;&#158;&#132;           > 88 52 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001849EA50430, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001849EA55FD0, 16 bytes long.
 Data: <`R&#165;&#158;&#132;           > 60 52 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001849EA55260, 320 bytes long.
 Data: <&#208;_&#165;&#158;&#132;   0 &#165;&#158;&#132;   > D0 5F A5 9E 84 01 00 00 30 04 A5 9E 84 01 00 00 
{269} normal block at 0x000001849EA56250, 16 bytes long.
 Data: <&#208;q&#165;&#158;&#132;           > D0 71 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001849EA56480, 16 bytes long.
 Data: <&#168;q&#165;&#158;&#132;           > A8 71 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001849EA50AF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001849EA56610, 16 bytes long.
 Data: < q&#165;&#158;&#132;           > 80 71 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001849EA4FE30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001849EA56980, 16 bytes long.
 Data: <&#200;p&#165;&#158;&#132;           > C8 70 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001849EA56F20, 16 bytes long.
 Data: <&#160;p&#165;&#158;&#132;           > A0 70 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001849EA56ED0, 16 bytes long.
 Data: <xp&#165;&#158;&#132;           > 78 70 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001849EA56160, 16 bytes long.
 Data: <Pp&#165;&#158;&#132;           > 50 70 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001849EA56750, 16 bytes long.
 Data: <(p&#165;&#158;&#132;           > 28 70 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001849EA56570, 16 bytes long.
 Data: < p&#165;&#158;&#132;           > 00 70 A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001849EA56DE0, 16 bytes long.
 Data: < Z&#165;&#158;&#132;           > 90 5A A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001849EA55A90, 40 bytes long.
 Data: <&#224;m&#165;&#158;&#132;   @&#228;&#130;&#160;&#132;   > E0 6D A5 9E 84 01 00 00 40 E4 82 A0 84 01 00 00 
{255} normal block at 0x000001849EA56700, 16 bytes long.
 Data: <&#224;o&#165;&#158;&#132;           > E0 6F A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001849EA565C0, 16 bytes long.
 Data: <&#184;o&#165;&#158;&#132;           > B8 6F A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001849EA50190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001849EA563E0, 16 bytes long.
 Data: < o&#165;&#158;&#132;           > 90 6F A5 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001849EA56F90, 992 bytes long.
 Data: <&#224;c&#165;&#158;&#132;     &#165;&#158;&#132;   > E0 63 A5 9E 84 01 00 00 90 01 A5 9E 84 01 00 00 
{87} normal block at 0x000001849EA50250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001849EA4F780, 16 bytes long.
 Data: <&#208;&#215;&#163;&#158;&#132;           > D0 D7 A3 9E 84 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001849EA3D7D0, 40 bytes long.
 Data: < &#247;&#164;&#158;&#132;   P &#165;&#158;&#132;   > 80 F7 A4 9E 84 01 00 00 50 02 A5 9E 84 01 00 00 
{64} normal block at 0x000001849EA4EE20, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001849EA4FA50, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001849EA4F280, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001849EA4F500, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001849EA4F050, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001849EA4F730, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001849EA4F1E0, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001849EA4F0F0, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001849EA4FB90, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001849EA4F6E0, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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