Task 38679331

Name test_140-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6553_0
Workunit 31621107
Created 26 Oct 2026, 20:12:19 UTC
Sent 26 Oct 2026, 20:12:21 UTC
Report deadline 31 Oct 2026, 20:12:21 UTC
Received 26 Oct 2026, 21:06:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 582876
Run time 31 min
CPU time 27 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.38 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:36:37 (7584): wrapper (7.9.26016): starting
21:36:37 (7584): 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
21:36:39 (7584): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:36:39 (7584): 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
22:05:20 (7584): C:/Windows/system32/cmd.exe exited; CPU time 1662.062500
22:05:20 (7584): 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: 30315443 bytes.
Dumping objects ->
{3835278} normal block at 0x000001754B1CA3E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001754B1A47C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001754B1A4670, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000001754B1A4980, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001754B1A4750, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x000001754CF47180, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001754CF5E9D0, 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) : {3835189} normal block at 0x000001754B19DD80, 8 bytes long.
 Data: <  fKu   > 00 00 66 4B 75 01 00 00 
{3834567} normal block at 0x000001754CF5F6E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833962} normal block at 0x000001754B19DE20, 8 bytes long.
 Data: < &#228;&#229;Lu   > 00 E4 E5 4C 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001754B1A17D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001754B196890, 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 0x000001754B1A55B0, 16 bytes long.
 Data: < d Ku           > 88 64 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001754B1A5AB0, 16 bytes long.
 Data: <`d Ku           > 60 64 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001754B19F4C0, 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 0x000001754B1A5560, 16 bytes long.
 Data: <8d Ku           > 38 64 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001754B1A51F0, 16 bytes long.
 Data: < d Ku           > 10 64 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001754B1A5C90, 16 bytes long.
 Data: <&#232;c Ku           > E8 63 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001754B1A56F0, 16 bytes long.
 Data: <&#192;c Ku           > C0 63 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001754B1A4AD0, 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 0x000001754B1A5510, 16 bytes long.
 Data: < &#177; Ku           > 18 B1 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001754B19EB60, 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 0x000001754B1A5EC0, 16 bytes long.
 Data: <&#240;&#176; Ku           > F0 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001754B1A53D0, 16 bytes long.
 Data: <&#200;&#176; Ku           > C8 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001754B1A5380, 16 bytes long.
 Data: <&#160;&#176; Ku           > A0 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001754B1A5650, 16 bytes long.
 Data: <x&#176; Ku           > 78 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001754B1A5B50, 16 bytes long.
 Data: <P&#176; Ku           > 50 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001754B1A5330, 16 bytes long.
 Data: <(&#176; Ku           > 28 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001754B19F2E0, 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 0x000001754B1A5E70, 16 bytes long.
 Data: < &#176; Ku           > 00 B0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001754B18B000, 320 bytes long.
 Data: <p^ Ku   &#224;&#242; Ku   > 70 5E 1A 4B 75 01 00 00 E0 F2 19 4B 75 01 00 00 
{274} normal block at 0x000001754B1A5E20, 16 bytes long.
 Data: <&#160;c Ku           > A0 63 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001754B1A5920, 16 bytes long.
 Data: <xc Ku           > 78 63 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001754B19F460, 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 0x000001754B1A51A0, 16 bytes long.
 Data: <Pc Ku           > 50 63 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001754B19F1C0, 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 0x000001754B1A52E0, 16 bytes long.
 Data: < b Ku           > 98 62 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001754B1A5A10, 16 bytes long.
 Data: <pb Ku           > 70 62 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001754B1A5C40, 16 bytes long.
 Data: <Hb Ku           > 48 62 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001754B1A5290, 16 bytes long.
 Data: < b Ku           > 20 62 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001754B1A5DD0, 16 bytes long.
 Data: <&#248;a Ku           > F8 61 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001754B1A5D80, 16 bytes long.
 Data: <&#208;a Ku           > D0 61 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001754B1A54C0, 16 bytes long.
 Data: <&#160;H Ku           > A0 48 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001754B1A48A0, 40 bytes long.
 Data: <&#192;T Ku    q&#244;Lu   > C0 54 1A 4B 75 01 00 00 80 71 F4 4C 75 01 00 00 
{260} normal block at 0x000001754B1A59C0, 16 bytes long.
 Data: <&#176;a Ku           > B0 61 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001754B1A5D30, 16 bytes long.
 Data: < a Ku           > 88 61 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001754B19EBC0, 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 0x000001754B1A5240, 16 bytes long.
 Data: <`a Ku           > 60 61 1A 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001754B1A6160, 992 bytes long.
 Data: <@R Ku   &#192;&#235; Ku   > 40 52 1A 4B 75 01 00 00 C0 EB 19 4B 75 01 00 00 
{92} normal block at 0x000001754B19F940, 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 0x000001754B19D100, 16 bytes long.
 Data: <&#224;&#224; Ku           > E0 E0 18 4B 75 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001754B18E0E0, 40 bytes long.
 Data: < &#209; Ku   @&#249; Ku   > 00 D1 19 4B 75 01 00 00 40 F9 19 4B 75 01 00 00 
{69} normal block at 0x000001754B19DC40, 16 bytes long.
 Data: < &#234; d&#246;           > 80 EA 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001754B19D510, 16 bytes long.
 Data: <@&#233; d&#246;           > 40 E9 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001754B19DD30, 16 bytes long.
 Data: <&#248;W d&#246;           > F8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001754B19DB00, 16 bytes long.
 Data: <&#216;W d&#246;           > D8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001754B19D470, 16 bytes long.
 Data: <P  d&#246;           > 50 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001754B19DCE0, 16 bytes long.
 Data: <0  d&#246;           > 30 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001754B19DC90, 16 bytes long.
 Data: <&#224;  d&#246;           > E0 02 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001754B19D9C0, 16 bytes long.
 Data: <   d&#246;           > 10 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001754B19D6A0, 16 bytes long.
 Data: <p  d&#246;           > 70 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001754B19D650, 16 bytes long.
 Data: < &#192; d&#246;           > 18 C0 03 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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