Task 38681918

Name test_0-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6774_0
Workunit 31623560
Created 27 Oct 2026, 5:52:29 UTC
Sent 27 Oct 2026, 5:52:33 UTC
Report deadline 1 Nov 2026, 5:52:33 UTC
Received 27 Oct 2026, 8:51:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 45 min 24 sec
CPU time 43 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.49 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:07:00 (8252): wrapper (7.9.26016): starting
04:07:00 (8252): 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
04:07:02 (8252): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:07:02 (8252): 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\36\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\36\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
04:50:26 (8252): C:/Windows/system32/cmd.exe exited; CPU time 2588.781250
04:50:26 (8252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 45577762 bytes.
Dumping objects ->
{3835225} normal block at 0x0000022271F615D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000022271F61480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000022271F61410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x0000022271F60840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000022271F60F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x000002227200BBA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x0000022271F91010, 85 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) : {3835136} normal block at 0x0000022270276710, 8 bytes long.
 Data: <  &#205;q"   > 00 00 CD 71 22 02 00 00 
{3834533} normal block at 0x0000022271F904D0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000022270276E90, 8 bytes long.
 Data: < &#137; r"   > 80 89 06 72 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022270281500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022270266300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000022270283080, 16 bytes long.
 Data: <&#232;8(p"           > E8 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022270283030, 16 bytes long.
 Data: <&#192;8(p"           > C0 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002227027D250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000022270282C20, 16 bytes long.
 Data: < 8(p"           > 98 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022270282950, 16 bytes long.
 Data: <p8(p"           > 70 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022270282A40, 16 bytes long.
 Data: <H8(p"           > 48 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022270282C70, 16 bytes long.
 Data: < 8(p"           > 20 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002227027C6E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000022270282F40, 16 bytes long.
 Data: < &#198;'p"           > 08 C6 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002227027D610, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000022270282EA0, 16 bytes long.
 Data: <&#224;&#197;'p"           > E0 C5 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022270282900, 16 bytes long.
 Data: <&#184;&#197;'p"           > B8 C5 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022270282E50, 16 bytes long.
 Data: < &#197;'p"           > 90 C5 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000222702826D0, 16 bytes long.
 Data: <h&#197;'p"           > 68 C5 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022270282E00, 16 bytes long.
 Data: <@&#197;'p"           > 40 C5 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022270282CC0, 16 bytes long.
 Data: < &#197;'p"           > 18 C5 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002227027DCD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000022270282810, 16 bytes long.
 Data: <&#240;&#196;'p"           > F0 C4 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002227027C4F0, 320 bytes long.
 Data: < ((p"   &#208;&#220;'p"   > 10 28 28 70 22 02 00 00 D0 DC 27 70 22 02 00 00 
{272} normal block at 0x0000022270282D60, 16 bytes long.
 Data: < 8(p"           > 00 38 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022270282860, 16 bytes long.
 Data: <&#216;7(p"           > D8 37 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002227027D910, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000222702824A0, 16 bytes long.
 Data: <&#176;7(p"           > B0 37 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002227027D070, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000022270282680, 16 bytes long.
 Data: <&#248;6(p"           > F8 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022270282630, 16 bytes long.
 Data: <&#208;6(p"           > D0 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022270282450, 16 bytes long.
 Data: <&#168;6(p"           > A8 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022270282F90, 16 bytes long.
 Data: < 6(p"           > 80 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000222702825E0, 16 bytes long.
 Data: <X6(p"           > 58 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022270282770, 16 bytes long.
 Data: <06(p"           > 30 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022270282BD0, 16 bytes long.
 Data: < &#204;'p"           > 90 CC 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002227027CC90, 40 bytes long.
 Data: <&#208;+(p"   &#160;&#187; r"   > D0 2B 28 70 22 02 00 00 A0 BB 00 72 22 02 00 00 
{258} normal block at 0x00000222702824F0, 16 bytes long.
 Data: < 6(p"           > 10 36 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022270283300, 16 bytes long.
 Data: <&#232;5(p"           > E8 35 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002227027D730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000222702828B0, 16 bytes long.
 Data: <&#192;5(p"           > C0 35 28 70 22 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000222702835C0, 992 bytes long.
 Data: <&#176;((p"   0&#215;'p"   > B0 28 28 70 22 02 00 00 30 D7 27 70 22 02 00 00 
{90} normal block at 0x000002227027DB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000222702769E0, 16 bytes long.
 Data: <@&#203;'p"           > 40 CB 27 70 22 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002227027CB40, 40 bytes long.
 Data: <&#224;i'p"   P&#219;'p"   > E0 69 27 70 22 02 00 00 50 DB 27 70 22 02 00 00 
{67} normal block at 0x00000222702771B0, 16 bytes long.
 Data: < &#234;&#217;&#218;&#247;           > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022270276B20, 16 bytes long.
 Data: <@&#233;&#217;&#218;&#247;           > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022270276D50, 16 bytes long.
 Data: <&#248;W&#214;&#218;&#247;           > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022270276F30, 16 bytes long.
 Data: <&#216;W&#214;&#218;&#247;           > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022270276670, 16 bytes long.
 Data: <P &#214;&#218;&#247;           > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022270276940, 16 bytes long.
 Data: <0 &#214;&#218;&#247;           > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000222702772A0, 16 bytes long.
 Data: <&#224; &#214;&#218;&#247;           > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022270277110, 16 bytes long.
 Data: <  &#214;&#218;&#247;           > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000222702767B0, 16 bytes long.
 Data: <p &#214;&#218;&#247;           > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000222702768F0, 16 bytes long.
 Data: < &#192;&#212;&#218;&#247;           > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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