Task 38665669

Name test_217-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8486_0
Workunit 31608744
Created 25 Oct 2026, 1:23:39 UTC
Sent 25 Oct 2026, 1:33:23 UTC
Report deadline 30 Oct 2026, 1:33:23 UTC
Received 25 Oct 2026, 23:52:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641248
Run time 1 hours 47 min 34 sec
CPU time 1 hours 44 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,740.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.91 MB
Peak swap size 11.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:06:10 (24940): wrapper (7.9.26016): starting
23:06:10 (24940): 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
23:06:11 (24940): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:06:11 (24940): 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\18\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\18\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
00:52:35 (24940): C:/Windows/system32/cmd.exe exited; CPU time 6240.171875
00:52:35 (24940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 98907421 bytes.
Dumping objects ->
{3835466} normal block at 0x000001B15EF65280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835455} normal block at 0x000001B15EF65210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x000001B15EF651A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835433} normal block at 0x000001B15EF65130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835422} normal block at 0x000001B15EF64E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835391} normal block at 0x000001B160D7A4C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835380} normal block at 0x000001B160DD4E40, 180 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) : {3835377} normal block at 0x000001B15EF5EB00, 8 bytes long.
 Data: <  c_&#177;   > 00 00 63 5F B1 01 00 00 
{3834659} normal block at 0x000001B160DD52F0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001B15EF5EBA0, 8 bytes long.
 Data: <&#208;&#177;&#248;^&#177;   > D0 B1 F8 5E B1 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B15EF60FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B15EF558E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001B15EF65C70, 16 bytes long.
 Data: <&#232;f&#246;^&#177;           > E8 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B15EF66300, 16 bytes long.
 Data: <&#192;f&#246;^&#177;           > C0 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B15EF606E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001B15EF65540, 16 bytes long.
 Data: < f&#246;^&#177;           > 98 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B15EF66120, 16 bytes long.
 Data: <pf&#246;^&#177;           > 70 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B15EF66170, 16 bytes long.
 Data: <Hf&#246;^&#177;           > 48 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B15EF658B0, 16 bytes long.
 Data: < f&#246;^&#177;           > 20 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B15EF64F00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001B15EF66030, 16 bytes long.
 Data: <  &#245;^&#177;           > 98 90 F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B15EF60440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001B15EF65860, 16 bytes long.
 Data: <p &#245;^&#177;           > 70 90 F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B15EF654F0, 16 bytes long.
 Data: <H &#245;^&#177;           > 48 90 F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B15EF65950, 16 bytes long.
 Data: <  &#245;^&#177;           > 20 90 F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B15EF65680, 16 bytes long.
 Data: <&#248;&#143;&#245;^&#177;           > F8 8F F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B15EF65F40, 16 bytes long.
 Data: <&#208;&#143;&#245;^&#177;           > D0 8F F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B15EF65D60, 16 bytes long.
 Data: <&#168;&#143;&#245;^&#177;           > A8 8F F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B15EF5F900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001B15EF65A90, 16 bytes long.
 Data: < &#143;&#245;^&#177;           > 80 8F F5 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B15EF58F80, 320 bytes long.
 Data: < Z&#246;^&#177;    &#249;&#245;^&#177;   > 90 5A F6 5E B1 01 00 00 00 F9 F5 5E B1 01 00 00 
{274} normal block at 0x000001B15EF65EF0, 16 bytes long.
 Data: < f&#246;^&#177;           > 00 66 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B15EF65FE0, 16 bytes long.
 Data: <&#216;e&#246;^&#177;           > D8 65 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B15EF604A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001B15EF65EA0, 16 bytes long.
 Data: <&#176;e&#246;^&#177;           > B0 65 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B15EF60320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001B15EF65E50, 16 bytes long.
 Data: <&#248;d&#246;^&#177;           > F8 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B15EF65DB0, 16 bytes long.
 Data: <&#208;d&#246;^&#177;           > D0 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B15EF66350, 16 bytes long.
 Data: <&#168;d&#246;^&#177;           > A8 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B15EF65450, 16 bytes long.
 Data: < d&#246;^&#177;           > 80 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B15EF654A0, 16 bytes long.
 Data: <Xd&#246;^&#177;           > 58 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B15EF65A40, 16 bytes long.
 Data: <0d&#246;^&#177;           > 30 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B15EF65F90, 16 bytes long.
 Data: <@M&#246;^&#177;           > 40 4D F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B15EF64D40, 40 bytes long.
 Data: < _&#246;^&#177;   &#192;&#164;&#215;`&#177;   > 90 5F F6 5E B1 01 00 00 C0 A4 D7 60 B1 01 00 00 
{260} normal block at 0x000001B15EF66080, 16 bytes long.
 Data: < d&#246;^&#177;           > 10 64 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B15EF65C20, 16 bytes long.
 Data: <&#232;c&#246;^&#177;           > E8 63 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B15EF5FFC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001B15EF657C0, 16 bytes long.
 Data: <&#192;c&#246;^&#177;           > C0 63 F6 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B15EF663C0, 992 bytes long.
 Data: <&#192;W&#246;^&#177;   &#192; &#245;^&#177;   > C0 57 F6 5E B1 01 00 00 C0 FF F5 5E B1 01 00 00 
{92} normal block at 0x000001B15EF60260, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001B15EF5F1E0, 16 bytes long.
 Data: <&#176;&#239;&#244;^&#177;           > B0 EF F4 5E B1 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B15EF4EFB0, 40 bytes long.
 Data: <&#224;&#241;&#245;^&#177;   ` &#246;^&#177;   > E0 F1 F5 5E B1 01 00 00 60 02 F6 5E B1 01 00 00 
{69} normal block at 0x000001B15EF5F780, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 0B 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B15EF5ED30, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 0B 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B15EF5F190, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B15EF5F140, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B15EF5F0F0, 16 bytes long.
 Data: <P   &#246;           > 50 04 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B15EF5E920, 16 bytes long.
 Data: <0   &#246;           > 30 04 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B15EF5F000, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B15EF5EE20, 16 bytes long.
 Data: <    &#246;           > 10 04 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B15EF5ECE0, 16 bytes long.
 Data: <p   &#246;           > 70 04 08 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B15EF5EAB0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 06 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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