Task 38660734

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND5245_0
Workunit 31604209
Created 24 Oct 2026, 14:39:06 UTC
Sent 24 Oct 2026, 14:47:03 UTC
Report deadline 29 Oct 2026, 14:47:03 UTC
Received 24 Oct 2026, 20:00:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 19 min 44 sec
CPU time 18 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.86 MB
Peak swap size 5.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:00:35 (15984): wrapper (7.9.26016): starting
20:00:35 (15984): 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
20:00:36 (15984): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:00:36 (15984): 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\0\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\0\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
20:19:35 (15984): C:/Windows/system32/cmd.exe exited; CPU time 1109.812500
20:19:35 (15984): 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: 15757481 bytes.
Dumping objects ->
{3835235} normal block at 0x0000027AEDC95F90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000027AEDC95BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000027AEDC962A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x0000027AEDC95EB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000027AEDC95DD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x0000027AEF995690, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000027AEF9AFE20, 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) : {3835146} normal block at 0x0000027AEDC8BEE0, 8 bytes long.
 Data: <  &#198;&#237;z   > 00 00 C6 ED 7A 02 00 00 
{3834547} normal block at 0x0000027AEF9AFCC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000027AEDC8BC60, 8 bytes long.
 Data: <&#176;U&#159;&#239;z   > B0 55 9F EF 7A 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000027AEDC92160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000027AEDC7F3B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000027AEDC96D60, 16 bytes long.
 Data: < v&#201;&#237;z           > 98 76 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027AEDC96B80, 16 bytes long.
 Data: <pv&#201;&#237;z           > 70 76 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027AEDC8F0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000027AEDC96A40, 16 bytes long.
 Data: <Hv&#201;&#237;z           > 48 76 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027AEDC96FE0, 16 bytes long.
 Data: < v&#201;&#237;z           > 20 76 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027AEDC968B0, 16 bytes long.
 Data: <&#248;u&#201;&#237;z           > F8 75 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027AEDC96860, 16 bytes long.
 Data: <&#208;u&#201;&#237;z           > D0 75 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027AEDC961C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000027AEDC96EF0, 16 bytes long.
 Data: <( &#201;&#237;z           > 28 0B C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027AEDC8F3F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000027AEDC96C20, 16 bytes long.
 Data: <  &#201;&#237;z           > 00 0B C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027AEDC96810, 16 bytes long.
 Data: <&#216; &#201;&#237;z           > D8 0A C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027AEDC96BD0, 16 bytes long.
 Data: <&#176; &#201;&#237;z           > B0 0A C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027AEDC96B30, 16 bytes long.
 Data: <  &#201;&#237;z           > 88 0A C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027AEDC97170, 16 bytes long.
 Data: <` &#201;&#237;z           > 60 0A C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027AEDC96540, 16 bytes long.
 Data: <8 &#201;&#237;z           > 38 0A C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027AEDC8FFF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000027AEDC96D10, 16 bytes long.
 Data: <  &#201;&#237;z           > 10 0A C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027AEDC90A10, 320 bytes long.
 Data: < m&#201;&#237;z   &#240;&#255;&#200;&#237;z   > 10 6D C9 ED 7A 02 00 00 F0 FF C8 ED 7A 02 00 00 
{280} normal block at 0x0000027AEDC96CC0, 16 bytes long.
 Data: <&#176;u&#201;&#237;z           > B0 75 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027AEDC969A0, 16 bytes long.
 Data: < u&#201;&#237;z           > 88 75 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027AEDC8FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000027AEDC96EA0, 16 bytes long.
 Data: <`u&#201;&#237;z           > 60 75 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027AEDC8F570, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000027AEDC96E00, 16 bytes long.
 Data: <&#168;t&#201;&#237;z           > A8 74 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027AEDC965E0, 16 bytes long.
 Data: < t&#201;&#237;z           > 80 74 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027AEDC964F0, 16 bytes long.
 Data: <Xt&#201;&#237;z           > 58 74 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027AEDC96680, 16 bytes long.
 Data: <0t&#201;&#237;z           > 30 74 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027AEDC969F0, 16 bytes long.
 Data: < t&#201;&#237;z           > 08 74 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027AEDC96AE0, 16 bytes long.
 Data: <&#224;s&#201;&#237;z           > E0 73 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027AEDC97120, 16 bytes long.
 Data: < `&#201;&#237;z           > 00 60 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027AEDC96000, 40 bytes long.
 Data: < q&#201;&#237;z    V &#239;z   > 20 71 C9 ED 7A 02 00 00 90 56 99 EF 7A 02 00 00 
{266} normal block at 0x0000027AEDC96DB0, 16 bytes long.
 Data: <&#192;s&#201;&#237;z           > C0 73 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027AEDC96F90, 16 bytes long.
 Data: < s&#201;&#237;z           > 98 73 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027AEDC8FF30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000027AEDC966D0, 16 bytes long.
 Data: <ps&#201;&#237;z           > 70 73 C9 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027AEDC97370, 992 bytes long.
 Data: <&#208;f&#201;&#237;z   0&#255;&#200;&#237;z   > D0 66 C9 ED 7A 02 00 00 30 FF C8 ED 7A 02 00 00 
{98} normal block at 0x0000027AEDC8F5D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000027AEDC8B620, 16 bytes long.
 Data: < &#227;&#199;&#237;z           > 90 E3 C7 ED 7A 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000027AEDC7E390, 40 bytes long.
 Data: < &#182;&#200;&#237;z   &#208;&#245;&#200;&#237;z   > 20 B6 C8 ED 7A 02 00 00 D0 F5 C8 ED 7A 02 00 00 
{75} normal block at 0x0000027AEDC8BC10, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027AEDC8BBC0, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027AEDC8B5D0, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027AEDC8BB70, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027AEDC8B350, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027AEDC8B210, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027AEDC8B3F0, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027AEDC8B850, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027AEDC8B800, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027AEDC8B0D0, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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