Task 38680941

Name test_666-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5125_0
Workunit 31622636
Created 27 Oct 2026, 2:07:14 UTC
Sent 27 Oct 2026, 2:07:18 UTC
Report deadline 1 Nov 2026, 2:07:18 UTC
Received 27 Oct 2026, 3:09:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 30 min 55 sec
CPU time 25 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.17 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:39:11 (8932): wrapper (7.9.26016): starting
20:39:11 (8932): 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
20:39:12 (8932): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:39:12 (8932): 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
21:09:20 (8932): C:/Windows/system32/cmd.exe exited; CPU time 1541.171875
21:09:20 (8932): 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: 28667697 bytes.
Dumping objects ->
{3835228} normal block at 0x000002AC848446A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000002AC84844BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000002AC84844780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x000002AC84844630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000002AC848445C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x000002AC86449300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x000002AC8645EE10, 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) : {3835139} normal block at 0x000002AC8483F090, 8 bytes long.
 Data: <  &#194;&#132;&#172;   > 00 00 C2 84 AC 02 00 00 
{3834539} normal block at 0x000002AC8645ED60, 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 0x000002AC8483EDC0, 8 bytes long.
 Data: <PWJ&#134;&#172;   > 50 57 4A 86 AC 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002AC84840980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AC848365E0, 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 0x000002AC84845570, 16 bytes long.
 Data: < e&#132;&#132;&#172;           > 88 65 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AC84845A20, 16 bytes long.
 Data: <`e&#132;&#132;&#172;           > 60 65 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AC8483FC10, 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 0x000002AC848457F0, 16 bytes long.
 Data: <8e&#132;&#132;&#172;           > 38 65 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AC84845660, 16 bytes long.
 Data: < e&#132;&#132;&#172;           > 10 65 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AC84845B10, 16 bytes long.
 Data: <&#232;d&#132;&#132;&#172;           > E8 64 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AC84845520, 16 bytes long.
 Data: <&#192;d&#132;&#132;&#172;           > C0 64 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AC84844550, 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 0x000002AC84845610, 16 bytes long.
 Data: <&#216;&#142;&#131;&#132;&#172;           > D8 8E 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AC8483FA90, 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 0x000002AC848459D0, 16 bytes long.
 Data: <&#176;&#142;&#131;&#132;&#172;           > B0 8E 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AC84845D40, 16 bytes long.
 Data: < &#142;&#131;&#132;&#172;           > 88 8E 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AC848460B0, 16 bytes long.
 Data: <`&#142;&#131;&#132;&#172;           > 60 8E 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AC848455C0, 16 bytes long.
 Data: <8&#142;&#131;&#132;&#172;           > 38 8E 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AC848461A0, 16 bytes long.
 Data: < &#142;&#131;&#132;&#172;           > 10 8E 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AC84845DE0, 16 bytes long.
 Data: <&#232; &#131;&#132;&#172;           > E8 8D 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AC8483FA30, 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 0x000002AC84845C50, 16 bytes long.
 Data: <&#192; &#131;&#132;&#172;           > C0 8D 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AC84838DC0, 320 bytes long.
 Data: <P\&#132;&#132;&#172;   0&#250;&#131;&#132;&#172;   > 50 5C 84 84 AC 02 00 00 30 FA 83 84 AC 02 00 00 
{276} normal block at 0x000002AC84845D90, 16 bytes long.
 Data: <&#160;d&#132;&#132;&#172;           > A0 64 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AC84845E80, 16 bytes long.
 Data: <xd&#132;&#132;&#172;           > 78 64 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AC848401B0, 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 0x000002AC84845930, 16 bytes long.
 Data: <Pd&#132;&#132;&#172;           > 50 64 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AC848402D0, 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 0x000002AC84845890, 16 bytes long.
 Data: < c&#132;&#132;&#172;           > 98 63 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AC84845B60, 16 bytes long.
 Data: <pc&#132;&#132;&#172;           > 70 63 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AC84845340, 16 bytes long.
 Data: <Hc&#132;&#132;&#172;           > 48 63 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AC84846060, 16 bytes long.
 Data: < c&#132;&#132;&#172;           > 20 63 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AC84846150, 16 bytes long.
 Data: <&#248;b&#132;&#132;&#172;           > F8 62 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AC848453E0, 16 bytes long.
 Data: <&#208;b&#132;&#132;&#172;           > D0 62 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AC84845840, 16 bytes long.
 Data: <&#224;D&#132;&#132;&#172;           > E0 44 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AC848444E0, 40 bytes long.
 Data: <@X&#132;&#132;&#172;    &#147;D&#134;&#172;   > 40 58 84 84 AC 02 00 00 00 93 44 86 AC 02 00 00 
{262} normal block at 0x000002AC848458E0, 16 bytes long.
 Data: <&#176;b&#132;&#132;&#172;           > B0 62 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AC84845390, 16 bytes long.
 Data: < b&#132;&#132;&#172;           > 88 62 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AC84840150, 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 0x000002AC84845980, 16 bytes long.
 Data: <`b&#132;&#132;&#172;           > 60 62 84 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AC84846260, 992 bytes long.
 Data: < Y&#132;&#132;&#172;   P &#132;&#132;&#172;   > 80 59 84 84 AC 02 00 00 50 01 84 84 AC 02 00 00 
{94} normal block at 0x000002AC84840330, 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 0x000002AC8483F040, 16 bytes long.
 Data: <&#160;&#228;&#131;&#132;&#172;           > A0 E4 83 84 AC 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002AC8483E4A0, 40 bytes long.
 Data: <@&#240;&#131;&#132;&#172;   0 &#132;&#132;&#172;   > 40 F0 83 84 AC 02 00 00 30 03 84 84 AC 02 00 00 
{71} normal block at 0x000002AC8483EB90, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AC8483F400, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AC8483E5A0, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AC8483EE60, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AC8483E7D0, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AC8483EC80, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AC8483E780, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AC8483EA50, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AC8483E9B0, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AC8483EA00, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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