Task 38682478

Name test_186-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND6840_0
Workunit 31624087
Created 27 Oct 2026, 7:54:23 UTC
Sent 27 Oct 2026, 7:54:32 UTC
Report deadline 1 Nov 2026, 7:54:32 UTC
Received 27 Oct 2026, 9:29:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627263
Run time 42 min 24 sec
CPU time 31 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,102.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 3.42 GB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:48:37 (44348): wrapper (7.9.26016): starting
04:48:37 (44348): 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
04:48:38 (44348): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:48:38 (44348): 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 'D:\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 'D:\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
05:28:49 (44348): C:/Windows/system32/cmd.exe exited; CPU time 1862.546875
05:28:49 (44348): 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: 53095711 bytes.
Dumping objects ->
{3835205} normal block at 0x000001CB2567D7E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001CB2567E570, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001CB2567E180, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x000001CB239F53E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001CB239F5370, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000001CB256CA3B0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x000001CB239EDA70, 8 bytes long.
 Data: <  &#229;#&#203;   > 00 00 E5 23 CB 01 00 00 
{3833959} normal block at 0x000001CB239ED7F0, 8 bytes long.
 Data: <&#176;&#228;&#172;#&#203;   > B0 E4 AC 23 CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CB239F1E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CB239E65F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001CB239F7050, 16 bytes long.
 Data: <&#184;_&#159;#&#203;           > B8 5F 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CB239F6830, 16 bytes long.
 Data: < _&#159;#&#203;           > 90 5F 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CB239EFCA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001CB239F6C90, 16 bytes long.
 Data: <h_&#159;#&#203;           > 68 5F 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CB239F6AB0, 16 bytes long.
 Data: <@_&#159;#&#203;           > 40 5F 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CB239F65B0, 16 bytes long.
 Data: < _&#159;#&#203;           > 18 5F 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CB239F6A60, 16 bytes long.
 Data: <&#240;^&#159;#&#203;           > F0 5E 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CB239F5760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001CB239F68D0, 16 bytes long.
 Data: <H&#235; #&#203;           > 48 EB 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB239EFC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001CB239F6F10, 16 bytes long.
 Data: < &#235; #&#203;           > 20 EB 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CB239F66F0, 16 bytes long.
 Data: <&#248;&#234; #&#203;           > F8 EA 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CB239F6150, 16 bytes long.
 Data: <&#208;&#234; #&#203;           > D0 EA 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CB239F6380, 16 bytes long.
 Data: <&#168;&#234; #&#203;           > A8 EA 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CB239F6B00, 16 bytes long.
 Data: < &#234; #&#203;           > 80 EA 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB239F69C0, 16 bytes long.
 Data: <X&#234; #&#203;           > 58 EA 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CB239EF880, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001CB239F6920, 16 bytes long.
 Data: <0&#234; #&#203;           > 30 EA 9D 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB239DEA30, 320 bytes long.
 Data: < i&#159;#&#203;    &#248;&#158;#&#203;   > 20 69 9F 23 CB 01 00 00 80 F8 9E 23 CB 01 00 00 
{275} normal block at 0x000001CB239F6510, 16 bytes long.
 Data: <&#208;^&#159;#&#203;           > D0 5E 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB239F6290, 16 bytes long.
 Data: <&#168;^&#159;#&#203;           > A8 5E 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CB239F0000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001CB239F62E0, 16 bytes long.
 Data: < ^&#159;#&#203;           > 80 5E 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CB239F0480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001CB239F6970, 16 bytes long.
 Data: <&#200;]&#159;#&#203;           > C8 5D 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CB239F6B50, 16 bytes long.
 Data: <&#160;]&#159;#&#203;           > A0 5D 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CB239F6FB0, 16 bytes long.
 Data: <x]&#159;#&#203;           > 78 5D 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB239F7000, 16 bytes long.
 Data: <P]&#159;#&#203;           > 50 5D 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CB239F61F0, 16 bytes long.
 Data: <(]&#159;#&#203;           > 28 5D 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CB239EE1A0, 16 bytes long.
 Data: < ]&#159;#&#203;           > 00 5D 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CB239EDED0, 16 bytes long.
 Data: <@Q&#159;#&#203;           > 40 51 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB239F5140, 40 bytes long.
 Data: <&#208;&#222;&#158;#&#203;   &#176;&#163;l%&#203;   > D0 DE 9E 23 CB 01 00 00 B0 A3 6C 25 CB 01 00 00 
{261} normal block at 0x000001CB239ED7A0, 16 bytes long.
 Data: <&#224;\&#159;#&#203;           > E0 5C 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CB239EDE80, 16 bytes long.
 Data: <&#184;\&#159;#&#203;           > B8 5C 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CB239EFB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001CB239EE420, 16 bytes long.
 Data: < \&#159;#&#203;           > 90 5C 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CB239F5C90, 992 bytes long.
 Data: < &#228;&#158;#&#203;    &#251;&#158;#&#203;   > 20 E4 9E 23 CB 01 00 00 20 FB 9E 23 CB 01 00 00 
{93} normal block at 0x000001CB239EFAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001CB239EE240, 16 bytes long.
 Data: <&#176;Q&#159;#&#203;           > B0 51 9F 23 CB 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001CB239F51B0, 40 bytes long.
 Data: <@&#226;&#158;#&#203;   &#192;&#250;&#158;#&#203;   > 40 E2 9E 23 CB 01 00 00 C0 FA 9E 23 CB 01 00 00 
{70} normal block at 0x000001CB239EE5B0, 16 bytes long.
 Data: < &#234;&#132;{&#246;           > 80 EA 84 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CB239EE060, 16 bytes long.
 Data: <@&#233;&#132;{&#246;           > 40 E9 84 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CB239EE290, 16 bytes long.
 Data: <&#248;W {&#246;           > F8 57 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CB239EDD40, 16 bytes long.
 Data: <&#216;W {&#246;           > D8 57 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CB239EDB60, 16 bytes long.
 Data: <P  {&#246;           > 50 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CB239EDC50, 16 bytes long.
 Data: <0  {&#246;           > 30 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CB239EDCF0, 16 bytes long.
 Data: <&#224;  {&#246;           > E0 02 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CB239ED840, 16 bytes long.
 Data: <   {&#246;           > 10 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CB239EDA20, 16 bytes long.
 Data: <p  {&#246;           > 70 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CB239EE330, 16 bytes long.
 Data: < &#192; {&#246;           > 18 C0 7F 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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