Task 38687675

Name test_861-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0987_0
Workunit 31629058
Created 28 Oct 2026, 9:09:48 UTC
Sent 28 Oct 2026, 9:09:55 UTC
Report deadline 2 Nov 2026, 9:09:55 UTC
Received 28 Oct 2026, 12:33:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 36 sec
CPU time 31 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.80 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:00:01 (25072): wrapper (7.9.26016): starting
14:00:01 (25072): 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
14:00:02 (25072): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:00:02 (25072): 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\24\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\24\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
14:32:43 (25072): C:/Windows/system32/cmd.exe exited; CPU time 1896.515625
14:32:43 (25072): 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: 25589421 bytes.
Dumping objects ->
{3835255} normal block at 0x000001A9860F59F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001A9860F5360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001A9860F5C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001A9860F6080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001A9860F57C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001A987E2B940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001A987D84760, 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) : {3835166} normal block at 0x000001A9860C6810, 8 bytes long.
 Data: <   &#134;&#169;   > 00 00 05 86 A9 01 00 00 
{3834558} normal block at 0x000001A987D83D10, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001A9860C6450, 8 bytes long.
 Data: < &#233; &#134;&#169;   > 10 E9 1A 86 A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001A9860D0780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A9860D1800, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001A9860D2530, 16 bytes long.
 Data: < 1 &#134;&#169;           > 98 31 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A9860D2490, 16 bytes long.
 Data: <p1 &#134;&#169;           > 70 31 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A9860CCBE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001A9860D2030, 16 bytes long.
 Data: <H1 &#134;&#169;           > 48 31 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A9860D2170, 16 bytes long.
 Data: < 1 &#134;&#169;           > 20 31 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A9860D1E50, 16 bytes long.
 Data: <&#248;0 &#134;&#169;           > F8 30 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A9860D2760, 16 bytes long.
 Data: <&#208;0 &#134;&#169;           > D0 30 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A9860CA8A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001A9860D20D0, 16 bytes long.
 Data: <   &#134;&#169;           > 98 17 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A9860CCE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001A9860D2710, 16 bytes long.
 Data: <p  &#134;&#169;           > 70 17 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A9860D22B0, 16 bytes long.
 Data: <H  &#134;&#169;           > 48 17 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A9860D1FE0, 16 bytes long.
 Data: <   &#134;&#169;           > 20 17 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A9860D2440, 16 bytes long.
 Data: <&#248;  &#134;&#169;           > F8 16 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A9860D23A0, 16 bytes long.
 Data: <&#208;  &#134;&#169;           > D0 16 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A9860D1E00, 16 bytes long.
 Data: <&#168;  &#134;&#169;           > A8 16 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A9860CCDC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001A9860D1C20, 16 bytes long.
 Data: <&#128;  &#134;&#169;           > 80 16 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A9860D1680, 320 bytes long.
 Data: <   &#134;&#169;   &#192;&#205; &#134;&#169;   > 20 1C 0D 86 A9 01 00 00 C0 CD 0C 86 A9 01 00 00 
{273} normal block at 0x000001A9860D2580, 16 bytes long.
 Data: <&#176;0 &#134;&#169;           > B0 30 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A9860D1BD0, 16 bytes long.
 Data: < 0 &#134;&#169;           > 88 30 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A9860CC340, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001A9860D19F0, 16 bytes long.
 Data: <`0 &#134;&#169;           > 60 30 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A9860CC1C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001A9860D26C0, 16 bytes long.
 Data: <&#168;/ &#134;&#169;           > A8 2F 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9860D2350, 16 bytes long.
 Data: <&#128;/ &#134;&#169;           > 80 2F 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A9860D19A0, 16 bytes long.
 Data: <X/ &#134;&#169;           > 58 2F 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A9860D2300, 16 bytes long.
 Data: <0/ &#134;&#169;           > 30 2F 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A9860D27B0, 16 bytes long.
 Data: < / &#134;&#169;           > 08 2F 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A9860D1DB0, 16 bytes long.
 Data: <&#224;. &#134;&#169;           > E0 2E 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A9860D1D60, 16 bytes long.
 Data: <P&#174; &#134;&#169;           > 50 AE 0C 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A9860CAE50, 40 bytes long.
 Data: <`  &#134;&#169;   @ &#226;&#135;&#169;   > 60 1D 0D 86 A9 01 00 00 40 B9 E2 87 A9 01 00 00 
{259} normal block at 0x000001A9860D2120, 16 bytes long.
 Data: <&#192;. &#134;&#169;           > C0 2E 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A9860D2670, 16 bytes long.
 Data: < . &#134;&#169;           > 98 2E 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A9860CC760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001A9860D1EF0, 16 bytes long.
 Data: <p. &#134;&#169;           > 70 2E 0D 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A9860D2E70, 992 bytes long.
 Data: <&#240;  &#134;&#169;   `&#199; &#134;&#169;   > F0 1E 0D 86 A9 01 00 00 60 C7 0C 86 A9 01 00 00 
{91} normal block at 0x000001A9860CC640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001A9860C5CD0, 16 bytes long.
 Data: <&#160;&#175; &#134;&#169;           > A0 AF 0C 86 A9 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001A9860CAFA0, 40 bytes long.
 Data: <&#208;\ &#134;&#169;   @&#198; &#134;&#169;   > D0 5C 0C 86 A9 01 00 00 40 C6 0C 86 A9 01 00 00 
{68} normal block at 0x000001A9860C6540, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A9860C60E0, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A9860C6590, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A9860C5DC0, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A9860C5D70, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A9860C5C80, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A9860C5C30, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A9860C5FF0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A9860C6400, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A9860C63B0, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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