Task 38700113

Name test_794-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6563_1
Workunit 31640435
Created 7 Nov 2026, 0:50:53 UTC
Sent 7 Nov 2026, 0:50:55 UTC
Report deadline 12 Nov 2026, 0:50:55 UTC
Received 7 Nov 2026, 1:16:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653334
Run time 22 min 59 sec
CPU time 21 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.14 MB
Peak swap size 5.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:52:31 (32912): wrapper (7.9.26016): starting
13:52:31 (32912): 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
13:52:32 (32912): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:52:32 (32912): 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\6\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\6\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
14:15:08 (32912): C:/Windows/system32/cmd.exe exited; CPU time 1296.156250
14:15:08 (32912): 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: 29460951 bytes.
Dumping objects ->
{3835618} normal block at 0x00000208DE310290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x00000208DE3106F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x00000208DE30FAB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x00000208DC6C4870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x00000208DC6C4F00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x00000208DE384B70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000208DE39EF50, 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) : {3835529} normal block at 0x00000208DC6BF600, 8 bytes long.
 Data: <  &#201;&#220;    > 00 00 C9 DC 08 02 00 00 
{3834723} normal block at 0x00000208DE39EEA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000208DC6BF100, 8 bytes long.
 Data: <&#176;&#227;)&#222;    > B0 E3 29 DE 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000208DC6C1710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000208DC6B62E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000208DC6C54D0, 16 bytes long.
 Data: <hgl&#220;            > 68 67 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000208DC6C5980, 16 bytes long.
 Data: <@gl&#220;            > 40 67 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000208DC6BFC40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000208DC6C5B10, 16 bytes long.
 Data: < gl&#220;            > 18 67 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000208DC6C5E30, 16 bytes long.
 Data: <&#240;fl&#220;            > F0 66 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000208DC6C5930, 16 bytes long.
 Data: <&#200;fl&#220;            > C8 66 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000208DC6C5660, 16 bytes long.
 Data: <&#160;fl&#220;            > A0 66 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000208DC6C4A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000208DC6C5DE0, 16 bytes long.
 Data: < &#231;k&#220;            > 98 E7 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000208DC6BFCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000208DC6C6240, 16 bytes long.
 Data: <p&#231;k&#220;            > 70 E7 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000208DC6C5840, 16 bytes long.
 Data: <H&#231;k&#220;            > 48 E7 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000208DC6C60B0, 16 bytes long.
 Data: < &#231;k&#220;            > 20 E7 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000208DC6C5D90, 16 bytes long.
 Data: <&#248;&#230;k&#220;            > F8 E6 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000208DC6C61F0, 16 bytes long.
 Data: <&#208;&#230;k&#220;            > D0 E6 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000208DC6C5CF0, 16 bytes long.
 Data: <&#168;&#230;k&#220;            > A8 E6 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000208DC6BFB80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000208DC6C5750, 16 bytes long.
 Data: < &#230;k&#220;            > 80 E6 6B DC 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000208DC6BE680, 320 bytes long.
 Data: <PWl&#220;     &#251;k&#220;    > 50 57 6C DC 08 02 00 00 80 FB 6B DC 08 02 00 00 
{276} normal block at 0x00000208DC6C5F70, 16 bytes long.
 Data: < fl&#220;            > 80 66 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000208DC6C5A70, 16 bytes long.
 Data: <Xfl&#220;            > 58 66 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000208DC6C0120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000208DC6C61A0, 16 bytes long.
 Data: <0fl&#220;            > 30 66 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000208DC6C0720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000208DC6C5570, 16 bytes long.
 Data: <xel&#220;            > 78 65 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000208DC6C5AC0, 16 bytes long.
 Data: <Pel&#220;            > 50 65 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000208DC6C56B0, 16 bytes long.
 Data: <(el&#220;            > 28 65 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000208DC6C5610, 16 bytes long.
 Data: < el&#220;            > 00 65 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000208DC6C6150, 16 bytes long.
 Data: <&#216;dl&#220;            > D8 64 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000208DC6C5D40, 16 bytes long.
 Data: <&#176;dl&#220;            > B0 64 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000208DC6C5A20, 16 bytes long.
 Data: <`Ll&#220;            > 60 4C 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000208DC6C4C60, 40 bytes long.
 Data: < Zl&#220;    pK8&#222;    > 20 5A 6C DC 08 02 00 00 70 4B 38 DE 08 02 00 00 
{262} normal block at 0x00000208DC6C5700, 16 bytes long.
 Data: < dl&#220;            > 90 64 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000208DC6C58E0, 16 bytes long.
 Data: <hdl&#220;            > 68 64 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000208DC6C05A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000208DC6C6100, 16 bytes long.
 Data: <@dl&#220;            > 40 64 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000208DC6C6440, 992 bytes long.
 Data: < al&#220;    &#160; l&#220;    > 00 61 6C DC 08 02 00 00 A0 05 6C DC 08 02 00 00 
{94} normal block at 0x00000208DC6BFA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000208DC6BE980, 16 bytes long.
 Data: <pOl&#220;            > 70 4F 6C DC 08 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000208DC6C4F70, 40 bytes long.
 Data: < &#233;k&#220;     &#250;k&#220;    > 80 E9 6B DC 08 02 00 00 00 FA 6B DC 08 02 00 00 
{71} normal block at 0x00000208DC6BEB10, 16 bytes long.
 Data: < &#234;&#185;&#215;&#247;           > 80 EA B9 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000208DC6BF3D0, 16 bytes long.
 Data: <@&#233;&#185;&#215;&#247;           > 40 E9 B9 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000208DC6BE930, 16 bytes long.
 Data: <&#248;W&#182;&#215;&#247;           > F8 57 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000208DC6BECF0, 16 bytes long.
 Data: <&#216;W&#182;&#215;&#247;           > D8 57 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000208DC6BF1A0, 16 bytes long.
 Data: <P &#182;&#215;&#247;           > 50 04 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000208DC6BECA0, 16 bytes long.
 Data: <0 &#182;&#215;&#247;           > 30 04 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000208DC6BF6F0, 16 bytes long.
 Data: <&#224; &#182;&#215;&#247;           > E0 02 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000208DC6BEA20, 16 bytes long.
 Data: <  &#182;&#215;&#247;           > 10 04 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000208DC6BF510, 16 bytes long.
 Data: <p &#182;&#215;&#247;           > 70 04 B6 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000208DC6BEAC0, 16 bytes long.
 Data: < &#192;&#180;&#215;&#247;           > 18 C0 B4 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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