Task 38684788

Name test_87-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND9344_0
Workunit 31626292
Created 27 Oct 2026, 17:58:33 UTC
Sent 27 Oct 2026, 17:58:40 UTC
Report deadline 1 Nov 2026, 17:58:40 UTC
Received 27 Oct 2026, 18:46:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 39 min 33 sec
CPU time 38 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.75 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:06:32 (23004): wrapper (7.9.26016): starting
19:06:32 (23004): 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
19:06:33 (23004): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:06:33 (23004): 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\3\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\3\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
19:45:10 (23004): C:/Windows/system32/cmd.exe exited; CPU time 2303.453125
19:45:10 (23004): 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: 50328213 bytes.
Dumping objects ->
{3835244} normal block at 0x000001A13A427150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001A13A4272A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001A13A426C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x000001A13A426A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001A13A426BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x000001A13A4276A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001A13BF3E500, 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) : {3835155} normal block at 0x000001A13A3F7240, 8 bytes long.
 Data: <  =:&#161;   > 00 00 3D 3A A1 01 00 00 
{3834549} normal block at 0x000001A13BF3E3A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001A13A3F78D0, 8 bytes long.
 Data: <&#176;j&#247;;&#161;   > B0 6A F7 3B A1 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A13A401D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A13A3E60C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001A13A403020, 16 bytes long.
 Data: <HC@:&#161;           > 48 43 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A13A403A20, 16 bytes long.
 Data: < C@:&#161;           > 20 43 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A13A3FC700, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001A13A4039D0, 16 bytes long.
 Data: <&#248;B@:&#161;           > F8 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A13A4033E0, 16 bytes long.
 Data: <&#208;B@:&#161;           > D0 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A13A402F80, 16 bytes long.
 Data: <&#168;B@:&#161;           > A8 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A13A403200, 16 bytes long.
 Data: < B@:&#161;           > 80 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A13A3FDD50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001A13A403980, 16 bytes long.
 Data: <&#184;&#216;?:&#161;           > B8 D8 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A13A3FC160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001A13A4037A0, 16 bytes long.
 Data: < &#216;?:&#161;           > 90 D8 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A13A402D50, 16 bytes long.
 Data: <h&#216;?:&#161;           > 68 D8 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A13A403750, 16 bytes long.
 Data: <@&#216;?:&#161;           > 40 D8 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A13A402E40, 16 bytes long.
 Data: < &#216;?:&#161;           > 18 D8 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A13A402DF0, 16 bytes long.
 Data: <&#240;&#215;?:&#161;           > F0 D7 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A13A402D00, 16 bytes long.
 Data: <&#200;&#215;?:&#161;           > C8 D7 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A13A3FC640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001A13A403160, 16 bytes long.
 Data: <&#160;&#215;?:&#161;           > A0 D7 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A13A3FD7A0, 320 bytes long.
 Data: <`1@:&#161;   @&#198;?:&#161;   > 60 31 40 3A A1 01 00 00 40 C6 3F 3A A1 01 00 00 
{278} normal block at 0x000001A13A4036B0, 16 bytes long.
 Data: <`B@:&#161;           > 60 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A13A402CB0, 16 bytes long.
 Data: <8B@:&#161;           > 38 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A13A3FC6A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001A13A403930, 16 bytes long.
 Data: < B@:&#161;           > 10 42 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A13A3FC2E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001A13A403A70, 16 bytes long.
 Data: <XA@:&#161;           > 58 41 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A13A4034D0, 16 bytes long.
 Data: <0A@:&#161;           > 30 41 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A13A402C60, 16 bytes long.
 Data: < A@:&#161;           > 08 41 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A13A402FD0, 16 bytes long.
 Data: <&#224;@@:&#161;           > E0 40 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A13A4037F0, 16 bytes long.
 Data: <&#184;@@:&#161;           > B8 40 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A13A403430, 16 bytes long.
 Data: < @@:&#161;           > 90 40 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A13A403660, 16 bytes long.
 Data: <&#176;&#218;?:&#161;           > B0 DA 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A13A3FDAB0, 40 bytes long.
 Data: <`6@:&#161;   &#160;vB:&#161;   > 60 36 40 3A A1 01 00 00 A0 76 42 3A A1 01 00 00 
{264} normal block at 0x000001A13A403520, 16 bytes long.
 Data: <p@@:&#161;           > 70 40 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A13A403B10, 16 bytes long.
 Data: <H@@:&#161;           > 48 40 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A13A3FBFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001A13A403AC0, 16 bytes long.
 Data: < @@:&#161;           > 20 40 40 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A13A404020, 992 bytes long.
 Data: <&#192;:@:&#161;   &#224;&#191;?:&#161;   > C0 3A 40 3A A1 01 00 00 E0 BF 3F 3A A1 01 00 00 
{96} normal block at 0x000001A13A3FBDA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001A13A3F7650, 16 bytes long.
 Data: <@&#218;?:&#161;           > 40 DA 3F 3A A1 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001A13A3FDA40, 40 bytes long.
 Data: <Pv?:&#161;   &#160;&#189;?:&#161;   > 50 76 3F 3A A1 01 00 00 A0 BD 3F 3A A1 01 00 00 
{73} normal block at 0x000001A13A3F7880, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A13A3F7060, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A13A3F6FC0, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A13A3F7B00, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A13A3F70B0, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A13A3F7150, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A13A3F6DE0, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A13A3F6E80, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A13A3F7A60, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A13A3F7BA0, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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