Task 38682359

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND4691_0
Workunit 31623977
Created 27 Oct 2026, 7:29:45 UTC
Sent 27 Oct 2026, 7:29:49 UTC
Report deadline 1 Nov 2026, 7:29:49 UTC
Received 27 Oct 2026, 9:02:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629467
Run time 1 hours 18 min 58 sec
CPU time 1 hours 9 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,189.73 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.85 MB
Peak swap size 5.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:46:14 (7268): wrapper (7.9.26016): starting
00:46:14 (7268): 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
00:46:17 (7268): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:46:17 (7268): 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\12\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\12\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
02:01:45 (7268): C:/Windows/system32/cmd.exe exited; CPU time 4169.171875
02:01:45 (7268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 79897059 bytes.
Dumping objects ->
{3835230} normal block at 0x00000124EE1DD1F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000124EC5D52F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000124EC5D4F00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x00000124EC5D54B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000124EC5D5280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x00000124EE22AF50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x00000124EC62D860, 141 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) : {3835141} normal block at 0x00000124EC5CF750, 8 bytes long.
 Data: <  &#156;&#236;$   > 00 00 9C EC 24 01 00 00 
{3834541} normal block at 0x00000124EC62DAD0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000124EC5CF700, 8 bytes long.
 Data: <&#208;T(&#238;$   > D0 54 28 EE 24 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000124EC5CD780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000124EC5C68C0, 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 0x00000124EC5D6AB0, 16 bytes long.
 Data: < \]&#236;$           > 98 5C 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000124EC5D6100, 16 bytes long.
 Data: <p\]&#236;$           > 70 5C 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000124EC5D0570, 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 0x00000124EC5D6330, 16 bytes long.
 Data: <H\]&#236;$           > 48 5C 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000124EC5D6510, 16 bytes long.
 Data: < \]&#236;$           > 20 5C 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000124EC5D6380, 16 bytes long.
 Data: <&#248;[]&#236;$           > F8 5B 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000124EC5D62E0, 16 bytes long.
 Data: <&#208;[]&#236;$           > D0 5B 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000124EC5D4E20, 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 0x00000124EC5D6740, 16 bytes long.
 Data: <&#248;&#245;[&#236;$           > F8 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000124EC5D0390, 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 0x00000124EC5D6C40, 16 bytes long.
 Data: <&#208;&#245;[&#236;$           > D0 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000124EC5D61F0, 16 bytes long.
 Data: <&#168;&#245;[&#236;$           > A8 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000124EC5D6880, 16 bytes long.
 Data: < &#245;[&#236;$           > 80 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000124EC5D61A0, 16 bytes long.
 Data: <X&#245;[&#236;$           > 58 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000124EC5D6A60, 16 bytes long.
 Data: <0&#245;[&#236;$           > 30 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000124EC5D6010, 16 bytes long.
 Data: < &#245;[&#236;$           > 08 F5 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000124EC5D06F0, 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 0x00000124EC5D5E30, 16 bytes long.
 Data: <&#224;&#244;[&#236;$           > E0 F4 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000124EC5BF4E0, 320 bytes long.
 Data: <0^]&#236;$   &#240; ]&#236;$   > 30 5E 5D EC 24 01 00 00 F0 06 5D EC 24 01 00 00 
{275} normal block at 0x00000124EC5D68D0, 16 bytes long.
 Data: <&#176;[]&#236;$           > B0 5B 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000124EC5D5FC0, 16 bytes long.
 Data: < []&#236;$           > 88 5B 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000124EC5D0150, 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 0x00000124EC5D6B50, 16 bytes long.
 Data: <`[]&#236;$           > 60 5B 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000124EC5D0930, 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 0x00000124EC5D6790, 16 bytes long.
 Data: <&#168;Z]&#236;$           > A8 5A 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000124EC5D67E0, 16 bytes long.
 Data: < Z]&#236;$           > 80 5A 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000124EC5D66F0, 16 bytes long.
 Data: <XZ]&#236;$           > 58 5A 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000124EC5D64C0, 16 bytes long.
 Data: <0Z]&#236;$           > 30 5A 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000124EC5D5F70, 16 bytes long.
 Data: < Z]&#236;$           > 08 5A 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000124EC5CEF80, 16 bytes long.
 Data: <&#224;Y]&#236;$           > E0 59 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000124EC5CEF30, 16 bytes long.
 Data: <&#160;Q]&#236;$           > A0 51 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000124EC5D51A0, 40 bytes long.
 Data: <0&#239;\&#236;$   P&#175;"&#238;$   > 30 EF 5C EC 24 01 00 00 50 AF 22 EE 24 01 00 00 
{261} normal block at 0x00000124EC5CFA70, 16 bytes long.
 Data: <&#192;Y]&#236;$           > C0 59 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000124EC5CF6B0, 16 bytes long.
 Data: < Y]&#236;$           > 98 59 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000124EC5CFE50, 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 0x00000124EC5CF3E0, 16 bytes long.
 Data: <pY]&#236;$           > 70 59 5D EC 24 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000124EC5D5970, 992 bytes long.
 Data: <&#224;&#243;\&#236;$   P&#254;\&#236;$   > E0 F3 5C EC 24 01 00 00 50 FE 5C EC 24 01 00 00 
{93} normal block at 0x00000124EC5D0BD0, 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 0x00000124EC5CF610, 16 bytes long.
 Data: < &#232;[&#236;$           > 90 E8 5B EC 24 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000124EC5BE890, 40 bytes long.
 Data: < &#246;\&#236;$   &#208; ]&#236;$   > 10 F6 5C EC 24 01 00 00 D0 0B 5D EC 24 01 00 00 
{70} normal block at 0x00000124EC5CF1B0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000124EC5CF5C0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000124EC5CF2F0, 16 bytes long.
 Data: <&#248;W&#253; &#247;           > F8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000124EC5CF160, 16 bytes long.
 Data: <&#216;W&#253; &#247;           > D8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000124EC5CF110, 16 bytes long.
 Data: <P &#253; &#247;           > 50 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000124EC5CFBB0, 16 bytes long.
 Data: <0 &#253; &#247;           > 30 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000124EC5CFCA0, 16 bytes long.
 Data: <&#224; &#253; &#247;           > E0 02 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000124EC5CF0C0, 16 bytes long.
 Data: <  &#253; &#247;           > 10 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000124EC5CF070, 16 bytes long.
 Data: <p &#253; &#247;           > 70 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000124EC5CF980, 16 bytes long.
 Data: < &#192;&#251; &#247;           > 18 C0 FB 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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