Task 38679196

Name test_115-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9995_0
Workunit 31620986
Created 26 Oct 2026, 19:47:47 UTC
Sent 26 Oct 2026, 19:47:49 UTC
Report deadline 31 Oct 2026, 19:47:49 UTC
Received 27 Oct 2026, 0:38:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638201
Run time 40 min 51 sec
CPU time 38 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.55 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:58:15 (7980): wrapper (7.9.26016): starting
17:58:15 (7980): 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
17:58:17 (7980): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:58:17 (7980): 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
18:37:48 (7980): C:/Windows/system32/cmd.exe exited; CPU time 2297.828125
18:37:48 (7980): 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: 38174479 bytes.
Dumping objects ->
{3835263} normal block at 0x000001E2E342CC80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000001E2E342CBA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000001E2E342CC10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x000001E2E1904A40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001E2E19049D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x000001E2E34773C0, 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) : {3835175} normal block at 0x000001E2E18FE780, 8 bytes long.
 Data: <  6&#227;&#226;   > 00 00 36 E3 E2 01 00 00 
{3833961} normal block at 0x000001E2E18FF6D0, 8 bytes long.
 Data: < &#222;H&#227;&#226;   > 80 DE 48 E3 E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E2E1900A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E2E18F5D20, 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 0x000001E2E1905890, 16 bytes long.
 Data: <hg &#225;&#226;           > 68 67 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E2E19063D0, 16 bytes long.
 Data: <@g &#225;&#226;           > 40 67 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E2E19003F0, 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 0x000001E2E1905700, 16 bytes long.
 Data: < g &#225;&#226;           > 18 67 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E2E1905C00, 16 bytes long.
 Data: <&#240;f &#225;&#226;           > F0 66 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E2E1905A20, 16 bytes long.
 Data: <&#200;f &#225;&#226;           > C8 66 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E2E19060B0, 16 bytes long.
 Data: <&#160;f &#225;&#226;           > A0 66 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E2E1904810, 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 0x000001E2E1906010, 16 bytes long.
 Data: <   &#225;&#226;           > 98 8F 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E2E1900030, 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 0x000001E2E1906380, 16 bytes long.
 Data: <p  &#225;&#226;           > 70 8F 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E2E1905B10, 16 bytes long.
 Data: <H  &#225;&#226;           > 48 8F 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E2E1905610, 16 bytes long.
 Data: <   &#225;&#226;           > 20 8F 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E2E1905D90, 16 bytes long.
 Data: <&#248;&#142; &#225;&#226;           > F8 8E 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E2E1906330, 16 bytes long.
 Data: <&#208;&#142; &#225;&#226;           > D0 8E 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E2E1905ED0, 16 bytes long.
 Data: <&#168;&#142; &#225;&#226;           > A8 8E 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E2E18FFFD0, 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 0x000001E2E1905840, 16 bytes long.
 Data: < &#142; &#225;&#226;           > 80 8E 8F E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E2E18F8E80, 320 bytes long.
 Data: <@X &#225;&#226;   &#208;&#255; &#225;&#226;   > 40 58 90 E1 E2 01 00 00 D0 FF 8F E1 E2 01 00 00 
{276} normal block at 0x000001E2E19059D0, 16 bytes long.
 Data: < f &#225;&#226;           > 80 66 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E2E1905570, 16 bytes long.
 Data: <Xf &#225;&#226;           > 58 66 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E2E19002D0, 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 0x000001E2E19056B0, 16 bytes long.
 Data: <0f &#225;&#226;           > 30 66 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E2E18FFE50, 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 0x000001E2E1906060, 16 bytes long.
 Data: <xe &#225;&#226;           > 78 65 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E2E1905F70, 16 bytes long.
 Data: <Pe &#225;&#226;           > 50 65 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E2E1905B60, 16 bytes long.
 Data: <(e &#225;&#226;           > 28 65 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E2E1905CF0, 16 bytes long.
 Data: < e &#225;&#226;           > 00 65 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E2E1906240, 16 bytes long.
 Data: <&#216;d &#225;&#226;           > D8 64 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E2E19061A0, 16 bytes long.
 Data: <&#176;d &#225;&#226;           > B0 64 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E2E1905BB0, 16 bytes long.
 Data: < K &#225;&#226;           > 20 4B 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E2E1904B20, 40 bytes long.
 Data: <&#176;[ &#225;&#226;   &#192;sG&#227;&#226;   > B0 5B 90 E1 E2 01 00 00 C0 73 47 E3 E2 01 00 00 
{262} normal block at 0x000001E2E19058E0, 16 bytes long.
 Data: < d &#225;&#226;           > 90 64 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E2E1905D40, 16 bytes long.
 Data: <hd &#225;&#226;           > 68 64 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E2E18FFF70, 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 0x000001E2E1906290, 16 bytes long.
 Data: <@d &#225;&#226;           > 40 64 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E2E1906440, 992 bytes long.
 Data: < b &#225;&#226;   p&#255; &#225;&#226;   > 90 62 90 E1 E2 01 00 00 70 FF 8F E1 E2 01 00 00 
{94} normal block at 0x000001E2E18FFF10, 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 0x000001E2E18FF5E0, 16 bytes long.
 Data: <&#176;J &#225;&#226;           > B0 4A 90 E1 E2 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E2E1904AB0, 40 bytes long.
 Data: <&#224;&#245; &#225;&#226;    &#255; &#225;&#226;   > E0 F5 8F E1 E2 01 00 00 10 FF 8F E1 E2 01 00 00 
{71} normal block at 0x000001E2E18FF310, 16 bytes long.
 Data: < &#234;&#164;&#197;&#247;           > 80 EA A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E2E18FF4A0, 16 bytes long.
 Data: <@&#233;&#164;&#197;&#247;           > 40 E9 A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E2E18FE8C0, 16 bytes long.
 Data: <&#248;W&#161;&#197;&#247;           > F8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E2E18FEA50, 16 bytes long.
 Data: <&#216;W&#161;&#197;&#247;           > D8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E2E18FEEB0, 16 bytes long.
 Data: <P &#161;&#197;&#247;           > 50 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E2E18FF590, 16 bytes long.
 Data: <0 &#161;&#197;&#247;           > 30 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E2E18FE9B0, 16 bytes long.
 Data: <&#224; &#161;&#197;&#247;           > E0 02 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E2E18FF540, 16 bytes long.
 Data: <  &#161;&#197;&#247;           > 10 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E2E18FE960, 16 bytes long.
 Data: <p &#161;&#197;&#247;           > 70 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E2E18FEA00, 16 bytes long.
 Data: < &#192;&#159;&#197;&#247;           > 18 C0 9F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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