Task 38688968

Name test_857-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5272_0
Workunit 31630254
Created 28 Oct 2026, 17:16:09 UTC
Sent 28 Oct 2026, 17:16:16 UTC
Report deadline 2 Nov 2026, 17:16:16 UTC
Received 28 Oct 2026, 18:06:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 49 min
CPU time 44 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.71 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:17:45 (46604): wrapper (7.9.26016): starting
13:17:45 (46604): 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
13:17:47 (46604): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:17:47 (46604): 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\33\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\33\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
14:05:29 (46604): C:/Windows/system32/cmd.exe exited; CPU time 2669.906250
14:05:29 (46604): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 64841709 bytes.
Dumping objects ->
{3835230} normal block at 0x000002401771AF60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000240159C4BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000240159C4B80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x00000240159C4D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000240159C49C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000002401770B090, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000024017630570, 160 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) : {3835141} normal block at 0x00000240159C0610, 8 bytes long.
 Data: <  &#222; @   > 00 00 DE 15 40 02 00 00 
{3834544} normal block at 0x0000024017630490, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000240159BF800, 8 bytes long.
 Data: <&#192;Lv @   > C0 4C 76 17 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000240159C09A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000240159B63E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000240159C5D10, 16 bytes long.
 Data: <&#232;f&#156; @           > E8 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000240159C5EA0, 16 bytes long.
 Data: <&#192;f&#156; @           > C0 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000240159BED00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000240159C58B0, 16 bytes long.
 Data: < f&#156; @           > 98 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000240159C6300, 16 bytes long.
 Data: <pf&#156; @           > 70 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000240159C5E00, 16 bytes long.
 Data: <Hf&#156; @           > 48 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240159C5AE0, 16 bytes long.
 Data: < f&#156; @           > 20 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000240159C4640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000240159C6210, 16 bytes long.
 Data: <( &#155; @           > 28 90 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240159BE940, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000240159C6260, 16 bytes long.
 Data: <  &#155; @           > 00 90 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240159C5CC0, 16 bytes long.
 Data: <&#216; &#155; @           > D8 8F 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240159C59A0, 16 bytes long.
 Data: <&#176; &#155; @           > B0 8F 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000240159C5C70, 16 bytes long.
 Data: <  &#155; @           > 88 8F 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000240159C5810, 16 bytes long.
 Data: <` &#155; @           > 60 8F 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000240159C60D0, 16 bytes long.
 Data: <8 &#155; @           > 38 8F 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000240159BF120, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000240159C5C20, 16 bytes long.
 Data: <  &#155; @           > 10 8F 9B 15 40 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000240159B8F10, 320 bytes long.
 Data: < \&#156; @    &#241;&#155; @   > 20 5C 9C 15 40 02 00 00 20 F1 9B 15 40 02 00 00 
{275} normal block at 0x00000240159C5860, 16 bytes long.
 Data: < f&#156; @           > 00 66 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240159C5EF0, 16 bytes long.
 Data: <&#216;e&#156; @           > D8 65 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000240159BF360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000240159C5E50, 16 bytes long.
 Data: <&#176;e&#156; @           > B0 65 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000240159BF1E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000240159C5630, 16 bytes long.
 Data: <&#248;d&#156; @           > F8 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000240159C61C0, 16 bytes long.
 Data: <&#208;d&#156; @           > D0 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000240159C54A0, 16 bytes long.
 Data: <&#168;d&#156; @           > A8 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240159C5A90, 16 bytes long.
 Data: < d&#156; @           > 80 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000240159C5BD0, 16 bytes long.
 Data: <Xd&#156; @           > 58 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000240159C62B0, 16 bytes long.
 Data: <0d&#156; @           > 30 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000240159C6170, 16 bytes long.
 Data: < G&#156; @           > 90 47 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000240159C4790, 40 bytes long.
 Data: <pa&#156; @    &#176;p @   > 70 61 9C 15 40 02 00 00 90 B0 70 17 40 02 00 00 
{261} normal block at 0x00000240159C6080, 16 bytes long.
 Data: < d&#156; @           > 10 64 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000240159C6120, 16 bytes long.
 Data: <&#232;c&#156; @           > E8 63 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000240159BF540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000240159C5B80, 16 bytes long.
 Data: <&#192;c&#156; @           > C0 63 9C 15 40 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000240159C63C0, 992 bytes long.
 Data: < [&#156; @   @&#245;&#155; @   > 80 5B 9C 15 40 02 00 00 40 F5 9B 15 40 02 00 00 
{93} normal block at 0x00000240159BF2A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000240159C0160, 16 bytes long.
 Data: <&#224;&#238;&#154; @           > E0 EE 9A 15 40 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000240159AEEE0, 40 bytes long.
 Data: <` &#156; @   &#160;&#242;&#155; @   > 60 01 9C 15 40 02 00 00 A0 F2 9B 15 40 02 00 00 
{70} normal block at 0x00000240159C0110, 16 bytes long.
 Data: < &#234; 0&#247;           > 80 EA 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000240159C0070, 16 bytes long.
 Data: <@&#233; 0&#247;           > 40 E9 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000240159C0570, 16 bytes long.
 Data: <&#248;W 0&#247;           > F8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000240159BFD00, 16 bytes long.
 Data: <&#216;W 0&#247;           > D8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000240159C03E0, 16 bytes long.
 Data: <P  0&#247;           > 50 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000240159BF7B0, 16 bytes long.
 Data: <0  0&#247;           > 30 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000240159C0660, 16 bytes long.
 Data: <&#224;  0&#247;           > E0 02 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000240159C00C0, 16 bytes long.
 Data: <   0&#247;           > 10 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000240159BFF30, 16 bytes long.
 Data: <p  0&#247;           > 70 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000240159C0480, 16 bytes long.
 Data: < &#192; 0&#247;           > 18 C0 0E 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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