Task 38677471

Name test_777-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6019_0
Workunit 31619341
Created 26 Oct 2026, 14:27:39 UTC
Sent 26 Oct 2026, 14:27:48 UTC
Report deadline 31 Oct 2026, 14:27:48 UTC
Received 26 Oct 2026, 17:16:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 45 min 21 sec
CPU time 42 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.06 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:32:41 (33820): wrapper (7.9.26016): starting
17:32:41 (33820): 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
17:32:43 (33820): Library/usr/bin/tar.exe exited; CPU time 0.031250
17:32:43 (33820): 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\5\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\5\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
18:15:45 (33820): C:/Windows/system32/cmd.exe exited; CPU time 2562.765625
18:15:45 (33820): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 67198099 bytes.
Dumping objects ->
{3835258} normal block at 0x0000020077ED16B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000020077ED0AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000020077ED1100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000020077ED1560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020077ED1170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000020077F7B9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000020077F52BC0, 141 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) : {3835169} normal block at 0x00000200762758D0, 8 bytes long.
 Data: <  %v    > 00 00 25 76 00 02 00 00 
{3834553} normal block at 0x0000020077F52880, 141 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 0x00000200762761E0, 8 bytes long.
 Data: < &#170;&v    > 80 AA 26 76 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000020076280BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020076281B30, 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 0x0000020076281D70, 16 bytes long.
 Data: < /(v            > 18 2F 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020076281FF0, 16 bytes long.
 Data: <&#240;.(v            > F0 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002007627C3B0, 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 0x00000200762825E0, 16 bytes long.
 Data: <&#200;.(v            > C8 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020076282810, 16 bytes long.
 Data: <&#160;.(v            > A0 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020076281D20, 16 bytes long.
 Data: <x.(v            > 78 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020076282310, 16 bytes long.
 Data: <P.(v            > 50 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002007627A6A0, 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 0x0000020076281CD0, 16 bytes long.
 Data: <&#200; (v            > C8 1A 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002007627BA50, 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 0x00000200762827C0, 16 bytes long.
 Data: <&#160; (v            > A0 1A 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200762822C0, 16 bytes long.
 Data: <x (v            > 78 1A 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020076282B80, 16 bytes long.
 Data: <P (v            > 50 1A 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020076281E10, 16 bytes long.
 Data: <( (v            > 28 1A 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000200762821D0, 16 bytes long.
 Data: <  (v            > 00 1A 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000200762820E0, 16 bytes long.
 Data: <&#216; (v            > D8 19 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002007627C350, 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 0x00000200762824F0, 16 bytes long.
 Data: <&#176; (v            > B0 19 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200762819B0, 320 bytes long.
 Data: <&#240;$(v    P&#195;'v    > F0 24 28 76 00 02 00 00 50 C3 27 76 00 02 00 00 
{269} normal block at 0x0000020076282590, 16 bytes long.
 Data: <0.(v            > 30 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020076281DC0, 16 bytes long.
 Data: < .(v            > 08 2E 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002007627B870, 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 0x0000020076282270, 16 bytes long.
 Data: <&#224;-(v            > E0 2D 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002007627C1D0, 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 0x00000200762829A0, 16 bytes long.
 Data: <(-(v            > 28 2D 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200762823B0, 16 bytes long.
 Data: < -(v            > 00 2D 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000200762828B0, 16 bytes long.
 Data: <&#216;,(v            > D8 2C 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020076282450, 16 bytes long.
 Data: <&#176;,(v            > B0 2C 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000200762824A0, 16 bytes long.
 Data: < ,(v            > 88 2C 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020076281C30, 16 bytes long.
 Data: <`,(v            > 60 2C 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020076282680, 16 bytes long.
 Data: <`&#161;'v            > 60 A1 27 76 00 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002007627A160, 40 bytes long.
 Data: < &(v    &#160;&#185;&#247;w    > 80 26 28 76 00 02 00 00 A0 B9 F7 77 00 02 00 00 
{255} normal block at 0x0000020076281C80, 16 bytes long.
 Data: <@,(v            > 40 2C 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020076282770, 16 bytes long.
 Data: < ,(v            > 18 2C 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002007627C230, 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 0x0000020076282360, 16 bytes long.
 Data: <&#240;+(v            > F0 2B 28 76 00 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020076282BF0, 992 bytes long.
 Data: <`#(v    0&#194;'v    > 60 23 28 76 00 02 00 00 30 C2 27 76 00 02 00 00 
{87} normal block at 0x000002007627C530, 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 0x0000020076275A10, 16 bytes long.
 Data: <p&#164;'v            > 70 A4 27 76 00 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002007627A470, 40 bytes long.
 Data: < Z'v    0&#197;'v    > 10 5A 27 76 00 02 00 00 30 C5 27 76 00 02 00 00 
{64} normal block at 0x0000020076276000, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020076275560, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000200762759C0, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020076275B50, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000200762756A0, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020076275D30, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020076275FB0, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020076276280, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020076275D80, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020076275420, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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