Task 38680810

Name test_156-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1738_0
Workunit 31622510
Created 27 Oct 2026, 1:36:48 UTC
Sent 27 Oct 2026, 1:37:05 UTC
Report deadline 1 Nov 2026, 1:37:05 UTC
Received 27 Oct 2026, 6:24:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 1 hours 37 min 44 sec
CPU time 1 hours 23 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,085.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 645.71 MB
Peak swap size 2.22 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:48:29 (7256): wrapper (7.9.26016): starting
22:48:29 (7256): 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
22:48:32 (7256): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:48:32 (7256): 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\6\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\6\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
00:23:57 (7256): C:/Windows/system32/cmd.exe exited; CPU time 4991.609375
00:23:57 (7256): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 63554015 bytes.
Dumping objects ->
{3835279} normal block at 0x0000022E22991480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x0000022E22990B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x0000022E22991100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x0000022E22991410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000022E22990DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x0000022E22A86220, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000022E20F940C0, 235 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) : {3835190} normal block at 0x0000022E20F87770, 8 bytes long.
 Data: <  &#132;".   > 00 00 84 22 2E 02 00 00 
{3834573} normal block at 0x0000022E20F933B0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000022E20F88120, 8 bytes long.
 Data: <&#176;&#167;&#247; .   > B0 A7 F7 20 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000022E20F91220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022E20F7CD20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000022E20F923A0, 16 bytes long.
 Data: < F&#249; .           > 98 46 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E20F92620, 16 bytes long.
 Data: <pF&#249; .           > 70 46 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022E20F8E9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000022E20F92CB0, 16 bytes long.
 Data: <HF&#249; .           > 48 46 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022E20F92580, 16 bytes long.
 Data: < F&#249; .           > 20 46 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E20F92BC0, 16 bytes long.
 Data: <&#248;E&#249; .           > F8 45 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E20F932F0, 16 bytes long.
 Data: <&#208;E&#249; .           > D0 45 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022E20F8DBE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000022E20F92B70, 16 bytes long.
 Data: <8"&#249; .           > 38 22 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022E20F8E850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000022E20F929E0, 16 bytes long.
 Data: < "&#249; .           > 10 22 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022E20F932A0, 16 bytes long.
 Data: <&#232;!&#249; .           > E8 21 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022E20F924E0, 16 bytes long.
 Data: <&#192;!&#249; .           > C0 21 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022E20F92B20, 16 bytes long.
 Data: < !&#249; .           > 98 21 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022E20F92C10, 16 bytes long.
 Data: <p!&#249; .           > 70 21 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022E20F92C60, 16 bytes long.
 Data: <H!&#249; .           > 48 21 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022E20F8DDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000022E20F92490, 16 bytes long.
 Data: < !&#249; .           > 20 21 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022E20F92120, 320 bytes long.
 Data: < $&#249; .   &#208;&#221;&#248; .   > 90 24 F9 20 2E 02 00 00 D0 DD F8 20 2E 02 00 00 
{268} normal block at 0x0000022E20F93200, 16 bytes long.
 Data: <&#176;E&#249; .           > B0 45 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022E20F923F0, 16 bytes long.
 Data: < E&#249; .           > 88 45 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022E20F8E7F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000022E20F92EE0, 16 bytes long.
 Data: <`E&#249; .           > 60 45 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022E20F8E8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000022E20F93110, 16 bytes long.
 Data: <&#168;D&#249; .           > A8 44 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022E20F92990, 16 bytes long.
 Data: < D&#249; .           > 80 44 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022E20F92530, 16 bytes long.
 Data: <XD&#249; .           > 58 44 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022E20F92940, 16 bytes long.
 Data: <0D&#249; .           > 30 44 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022E20F928F0, 16 bytes long.
 Data: < D&#249; .           > 08 44 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022E20F92F30, 16 bytes long.
 Data: <&#224;C&#249; .           > E0 43 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022E20F930C0, 16 bytes long.
 Data: < &#218;&#248; .           > 90 DA F8 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022E20F8DA90, 40 bytes long.
 Data: <&#192;0&#249; .    b&#168;".   > C0 30 F9 20 2E 02 00 00 20 62 A8 22 2E 02 00 00 
{254} normal block at 0x0000022E20F92800, 16 bytes long.
 Data: <&#192;C&#249; .           > C0 43 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022E20F92E90, 16 bytes long.
 Data: < C&#249; .           > 98 43 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000022E20F8ECD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000022E20F927B0, 16 bytes long.
 Data: <pC&#249; .           > 70 43 F9 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022E20F94370, 992 bytes long.
 Data: <&#176;'&#249; .   &#208;&#236;&#248; .   > B0 27 F9 20 2E 02 00 00 D0 EC F8 20 2E 02 00 00 
{86} normal block at 0x0000022E20F8E250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000022E20F88030, 16 bytes long.
 Data: <P&#220;&#248; .           > 50 DC F8 20 2E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000022E20F8DC50, 40 bytes long.
 Data: <0 &#248; .   P&#226;&#248; .   > 30 80 F8 20 2E 02 00 00 50 E2 F8 20 2E 02 00 00 
{63} normal block at 0x0000022E20F87EF0, 16 bytes long.
 Data: < &#234;&#237;f&#247;           > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022E20F874A0, 16 bytes long.
 Data: <@&#233;&#237;f&#247;           > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022E20F87E00, 16 bytes long.
 Data: <&#248;W&#234;f&#247;           > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022E20F87450, 16 bytes long.
 Data: <&#216;W&#234;f&#247;           > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022E20F87EA0, 16 bytes long.
 Data: <P &#234;f&#247;           > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022E20F87540, 16 bytes long.
 Data: <0 &#234;f&#247;           > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022E20F880D0, 16 bytes long.
 Data: <&#224; &#234;f&#247;           > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022E20F87360, 16 bytes long.
 Data: <  &#234;f&#247;           > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022E20F877C0, 16 bytes long.
 Data: <p &#234;f&#247;           > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000022E20F87F90, 16 bytes long.
 Data: < &#192;&#232;f&#247;           > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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