Task 38678918

Name test_32-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7887_0
Workunit 31620721
Created 26 Oct 2026, 18:54:45 UTC
Sent 26 Oct 2026, 18:54:51 UTC
Report deadline 31 Oct 2026, 18:54:51 UTC
Received 27 Oct 2026, 2:04:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 20 min 7 sec
CPU time 19 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.67 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:43:51 (33600): wrapper (7.9.26016): starting
01:43:51 (33600): 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
01:43:52 (33600): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:43:52 (33600): 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\1\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\1\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
02:03:43 (33600): C:/Windows/system32/cmd.exe exited; CPU time 1183.343750
02:03:43 (33600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 26485417 bytes.
Dumping objects ->
{3835519} normal block at 0x000002115C17E100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000002115C17EE90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000002115C17EB10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000002115C17E800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002115C17E6B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000002115A426D50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x000002115A41FEB0, 8 bytes long.
 Data: <  &#142;Z    > 00 00 8E 5A 11 02 00 00 
{3833967} normal block at 0x000002115A420130, 8 bytes long.
 Data: < &#138;/\    > 10 8A 2F 5C 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002115A423680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002115A418950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002115A428A20, 16 bytes long.
 Data: <  BZ            > 08 98 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002115A4289D0, 16 bytes long.
 Data: <&#224;&#151;BZ            > E0 97 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002115A421E50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002115A428570, 16 bytes long.
 Data: <&#184;&#151;BZ            > B8 97 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002115A428980, 16 bytes long.
 Data: < &#151;BZ            > 90 97 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002115A428F20, 16 bytes long.
 Data: <h&#151;BZ            > 68 97 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002115A4288E0, 16 bytes long.
 Data: <@&#151;BZ            > 40 97 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002115A425E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002115A428E30, 16 bytes long.
 Data: <&#216; AZ            > D8 14 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002115A4213D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002115A428930, 16 bytes long.
 Data: <&#176; AZ            > B0 14 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002115A429150, 16 bytes long.
 Data: <  AZ            > 88 14 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002115A428840, 16 bytes long.
 Data: <` AZ            > 60 14 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002115A4287F0, 16 bytes long.
 Data: <8 AZ            > 38 14 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002115A4290B0, 16 bytes long.
 Data: <  AZ            > 10 14 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002115A4287A0, 16 bytes long.
 Data: <&#232; AZ            > E8 13 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002115A421DF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002115A428E80, 16 bytes long.
 Data: <&#192; AZ            > C0 13 41 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002115A4113C0, 320 bytes long.
 Data: < &#142;BZ    &#240; BZ    > 80 8E 42 5A 11 02 00 00 F0 1D 42 5A 11 02 00 00 
{279} normal block at 0x000002115A428FC0, 16 bytes long.
 Data: < &#151;BZ            > 20 97 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002115A428520, 16 bytes long.
 Data: <&#248;&#150;BZ            > F8 96 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002115A421C10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002115A428700, 16 bytes long.
 Data: <&#208;&#150;BZ            > D0 96 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002115A421670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002115A428DE0, 16 bytes long.
 Data: < &#150;BZ            > 18 96 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002115A4286B0, 16 bytes long.
 Data: <&#240;&#149;BZ            > F0 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002115A429470, 16 bytes long.
 Data: <&#200;&#149;BZ            > C8 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002115A428CF0, 16 bytes long.
 Data: <&#160;&#149;BZ            > A0 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002115A4285C0, 16 bytes long.
 Data: <x&#149;BZ            > 78 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002115A428750, 16 bytes long.
 Data: <P&#149;BZ            > 50 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002115A428AC0, 16 bytes long.
 Data: < aBZ            > 20 61 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002115A426120, 40 bytes long.
 Data: <&#192;&#138;BZ    PmBZ    > C0 8A 42 5A 11 02 00 00 50 6D 42 5A 11 02 00 00 
{265} normal block at 0x000002115A429380, 16 bytes long.
 Data: <0&#149;BZ            > 30 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002115A428660, 16 bytes long.
 Data: < &#149;BZ            > 08 95 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002115A421370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002115A4293D0, 16 bytes long.
 Data: <&#224;&#148;BZ            > E0 94 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002115A4294E0, 992 bytes long.
 Data: <&#208;&#147;BZ    p BZ    > D0 93 42 5A 11 02 00 00 70 13 42 5A 11 02 00 00 
{97} normal block at 0x000002115A4219D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002115A41F960, 16 bytes long.
 Data: <&#176;`BZ            > B0 60 42 5A 11 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002115A4260B0, 40 bytes long.
 Data: <`&#249;AZ    &#208; BZ    > 60 F9 41 5A 11 02 00 00 D0 19 42 5A 11 02 00 00 
{74} normal block at 0x000002115A41F5A0, 16 bytes long.
 Data: < &#234;T&#146;&#246;           > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002115A41F3C0, 16 bytes long.
 Data: <@&#233;T&#146;&#246;           > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002115A420220, 16 bytes long.
 Data: <&#248;WQ&#146;&#246;           > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002115A41FBE0, 16 bytes long.
 Data: <&#216;WQ&#146;&#246;           > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002115A41F370, 16 bytes long.
 Data: <P Q&#146;&#246;           > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002115A41FB90, 16 bytes long.
 Data: <0 Q&#146;&#246;           > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002115A41F640, 16 bytes long.
 Data: <&#224; Q&#146;&#246;           > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002115A41F550, 16 bytes long.
 Data: <  Q&#146;&#246;           > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002115A41F4B0, 16 bytes long.
 Data: <p Q&#146;&#246;           > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002115A41FCD0, 16 bytes long.
 Data: < &#192;O&#146;&#246;           > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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