Task 38664467

Name test_763-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2731_0
Workunit 31607616
Created 24 Oct 2026, 23:40:02 UTC
Sent 24 Oct 2026, 23:40:11 UTC
Report deadline 29 Oct 2026, 23:40:11 UTC
Received 25 Oct 2026, 1:03:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 55 min 3 sec
CPU time 47 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.21 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:03:14 (13604): wrapper (7.9.26016): starting
17:03:14 (13604): 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
17:03:21 (13604): Library/usr/bin/tar.exe exited; CPU time 0.031250
17:03:21 (13604): 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
18:03:12 (13604): C:/Windows/system32/cmd.exe exited; CPU time 2866.562500
18:03:12 (13604): 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: 45701461 bytes.
Dumping objects ->
{3835561} normal block at 0x000001B2E87ECEA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000001B2E6BB4410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001B2E6BB4250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000001B2E6BB3FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000001B2E6BB4640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000001B2E8833680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001B2E884E630, 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) : {3835472} normal block at 0x000001B2E6BAEE60, 8 bytes long.
 Data: <  &#179;&#230;&#178;   > 00 00 B3 E6 B2 01 00 00 
{3834691} normal block at 0x000001B2E884E580, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001B2E6BAE190, 8 bytes long.
 Data: <`&#233;n&#232;&#178;   > 60 E9 6E E8 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B2E6BB0020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B2E6B9CCE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001B2E6BB5660, 16 bytes long.
 Data: <&#232;_&#187;&#230;&#178;           > E8 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B2E6BB4E40, 16 bytes long.
 Data: <&#192;_&#187;&#230;&#178;           > C0 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B2E6BAFE50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001B2E6BB5930, 16 bytes long.
 Data: < _&#187;&#230;&#178;           > 98 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B2E6BB5610, 16 bytes long.
 Data: <p_&#187;&#230;&#178;           > 70 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B2E6BB5C00, 16 bytes long.
 Data: <H_&#187;&#230;&#178;           > 48 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B2E6BB5AC0, 16 bytes long.
 Data: < _&#187;&#230;&#178;           > 20 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B2E6BB44F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001B2E6BB5570, 16 bytes long.
 Data: < &#223;&#186;&#230;&#178;           > 18 DF BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B2E6BAF550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001B2E6BB5110, 16 bytes long.
 Data: <&#240;&#222;&#186;&#230;&#178;           > F0 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B2E6BB5340, 16 bytes long.
 Data: <&#200;&#222;&#186;&#230;&#178;           > C8 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B2E6BB52F0, 16 bytes long.
 Data: <&#160;&#222;&#186;&#230;&#178;           > A0 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B2E6BB58E0, 16 bytes long.
 Data: <x&#222;&#186;&#230;&#178;           > 78 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B2E6BB4DA0, 16 bytes long.
 Data: <P&#222;&#186;&#230;&#178;           > 50 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B2E6BB5A20, 16 bytes long.
 Data: <(&#222;&#186;&#230;&#178;           > 28 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B2E6BAF4F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001B2E6BB57A0, 16 bytes long.
 Data: < &#222;&#186;&#230;&#178;           > 00 DE BA E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B2E6BADE00, 320 bytes long.
 Data: <&#160;W&#187;&#230;&#178;   &#240;&#244;&#186;&#230;&#178;   > A0 57 BB E6 B2 01 00 00 F0 F4 BA E6 B2 01 00 00 
{277} normal block at 0x000001B2E6BB5020, 16 bytes long.
 Data: < _&#187;&#230;&#178;           > 00 5F BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B2E6BB4F30, 16 bytes long.
 Data: <&#216;^&#187;&#230;&#178;           > D8 5E BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B2E6BAFEB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001B2E6BB5700, 16 bytes long.
 Data: <&#176;^&#187;&#230;&#178;           > B0 5E BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B2E6BAF490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001B2E6BB5480, 16 bytes long.
 Data: <&#248;]&#187;&#230;&#178;           > F8 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B2E6BB4D00, 16 bytes long.
 Data: <&#208;]&#187;&#230;&#178;           > D0 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B2E6BB4F80, 16 bytes long.
 Data: <&#168;]&#187;&#230;&#178;           > A8 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B2E6BB4DF0, 16 bytes long.
 Data: < ]&#187;&#230;&#178;           > 80 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B2E6BB56B0, 16 bytes long.
 Data: <X]&#187;&#230;&#178;           > 58 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B2E6BB5890, 16 bytes long.
 Data: <0]&#187;&#230;&#178;           > 30 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B2E6BB5200, 16 bytes long.
 Data: <&#192;B&#187;&#230;&#178;           > C0 42 BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B2E6BB42C0, 40 bytes long.
 Data: < R&#187;&#230;&#178;    6&#131;&#232;&#178;   > 00 52 BB E6 B2 01 00 00 80 36 83 E8 B2 01 00 00 
{263} normal block at 0x000001B2E6BB5B60, 16 bytes long.
 Data: < ]&#187;&#230;&#178;           > 10 5D BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B2E6BB55C0, 16 bytes long.
 Data: <&#232;\&#187;&#230;&#178;           > E8 5C BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B2E6BAF1F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001B2E6BB5C50, 16 bytes long.
 Data: <&#192;\&#187;&#230;&#178;           > C0 5C BB E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B2E6BB5CC0, 992 bytes long.
 Data: <P\&#187;&#230;&#178;   &#240;&#241;&#186;&#230;&#178;   > 50 5C BB E6 B2 01 00 00 F0 F1 BA E6 B2 01 00 00 
{95} normal block at 0x000001B2E6BAF430, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001B2E6BAE500, 16 bytes long.
 Data: <0&#242;&#185;&#230;&#178;           > 30 F2 B9 E6 B2 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B2E6B9F230, 40 bytes long.
 Data: < &#229;&#186;&#230;&#178;   0&#244;&#186;&#230;&#178;   > 00 E5 BA E6 B2 01 00 00 30 F4 BA E6 B2 01 00 00 
{72} normal block at 0x000001B2E6BAEB90, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B2E6BAEAF0, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B2E6BAE5A0, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B2E6BAE960, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B2E6BAEEB0, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B2E6BAEF50, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B2E6BAEAA0, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B2E6BAEDC0, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B2E6BAE0A0, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B2E6BAE5F0, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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