Task 38659832

Name test_1727-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND6050_0
Workunit 31603370
Created 24 Oct 2026, 13:38:13 UTC
Sent 24 Oct 2026, 16:30:34 UTC
Report deadline 29 Oct 2026, 16:30:34 UTC
Received 25 Oct 2026, 12:20:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 18 min 25 sec
CPU time 16 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.96 MB
Peak swap size 3.97 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:27:53 (9668): wrapper (7.9.26016): starting
00:27:53 (9668): 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
00:27:54 (9668): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:27:54 (9668): 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\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 'C:\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
00:45:37 (9668): C:/Windows/system32/cmd.exe exited; CPU time 993.296875
00:45:37 (9668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 19700005 bytes.
Dumping objects ->
{3835168} normal block at 0x0000023F694CA9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x0000023F694A4D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000023F694A4A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835135} normal block at 0x0000023F694A4CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835124} normal block at 0x0000023F694A48B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835093} normal block at 0x0000023F6AFEA4E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835080} normal block at 0x0000023F6949E810, 8 bytes long.
 Data: <  &#235;j?   > 00 00 EB 6A 3F 02 00 00 
{3833939} normal block at 0x0000023F6949E4F0, 8 bytes long.
 Data: <&#176;&#228;&#234;j?   > B0 E4 EA 6A 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000023F6949D4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023F6948F6C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000023F694A5570, 16 bytes long.
 Data: <HRJi?           > 48 52 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023F694A57A0, 16 bytes long.
 Data: < RJi?           > 20 52 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023F694A1650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000023F694A5430, 16 bytes long.
 Data: <&#248;QJi?           > F8 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023F694A5520, 16 bytes long.
 Data: <&#208;QJi?           > D0 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F694A6290, 16 bytes long.
 Data: <&#168;QJi?           > A8 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023F694A54D0, 16 bytes long.
 Data: <&#128;QJi?           > 80 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023F694A4BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000023F694A62E0, 16 bytes long.
 Data: < &#180;Hi?           > 08 B4 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023F694A1E30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000023F694A6240, 16 bytes long.
 Data: <&#224;&#179;Hi?           > E0 B3 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023F694A5930, 16 bytes long.
 Data: <&#184;&#179;Hi?           > B8 B3 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023F694A58E0, 16 bytes long.
 Data: <&#144;&#179;Hi?           > 90 B3 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023F694A6060, 16 bytes long.
 Data: <h&#179;Hi?           > 68 B3 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023F694A6010, 16 bytes long.
 Data: <@&#179;Hi?           > 40 B3 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023F694A61F0, 16 bytes long.
 Data: < &#179;Hi?           > 18 B3 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F694A1170, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000023F694A5A20, 16 bytes long.
 Data: <&#240;&#178;Hi?           > F0 B2 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023F6948B2F0, 320 bytes long.
 Data: < ZJi?   p Ji?   > 20 5A 4A 69 3F 02 00 00 70 11 4A 69 3F 02 00 00 
{265} normal block at 0x0000023F694A5700, 16 bytes long.
 Data: <`QJi?           > 60 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023F694A5480, 16 bytes long.
 Data: <8QJi?           > 38 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023F694A1AD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000023F694A60B0, 16 bytes long.
 Data: < QJi?           > 10 51 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023F694A1830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000023F694A56B0, 16 bytes long.
 Data: <XPJi?           > 58 50 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023F694A5610, 16 bytes long.
 Data: <0PJi?           > 30 50 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023F694A5660, 16 bytes long.
 Data: < PJi?           > 08 50 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023F694A53E0, 16 bytes long.
 Data: <&#224;OJi?           > E0 4F 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023F6949EC70, 16 bytes long.
 Data: <&#184;OJi?           > B8 4F 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023F6949EB80, 16 bytes long.
 Data: <&#144;OJi?           > 90 4F 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023F6949E680, 16 bytes long.
 Data: <PKJi?           > 50 4B 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023F694A4B50, 40 bytes long.
 Data: <&#128;&#230;Ii?   &#224;&#164;&#254;j?   > 80 E6 49 69 3F 02 00 00 E0 A4 FE 6A 3F 02 00 00 
{251} normal block at 0x0000023F6949EB30, 16 bytes long.
 Data: <pOJi?           > 70 4F 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000023F6949EC20, 16 bytes long.
 Data: <HOJi?           > 48 4F 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000023F694A19B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x0000023F6949E270, 16 bytes long.
 Data: < OJi?           > 20 4F 4A 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000023F694A4F20, 992 bytes long.
 Data: <p&#226;Ii?   &#176; Ji?   > 70 E2 49 69 3F 02 00 00 B0 19 4A 69 3F 02 00 00 
{83} normal block at 0x0000023F694A1A70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x0000023F6949E7C0, 16 bytes long.
 Data: <&#192;&#252;Hi?           > C0 FC 48 69 3F 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000023F6948FCC0, 40 bytes long.
 Data: <&#192;&#231;Ii?   p Ji?   > C0 E7 49 69 3F 02 00 00 70 1A 4A 69 3F 02 00 00 
{60} normal block at 0x0000023F6949ED60, 16 bytes long.
 Data: <&#128;&#234;&#198; &#247;           > 80 EA C6 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023F6949EE00, 16 bytes long.
 Data: <@&#233;&#198; &#247;           > 40 E9 C6 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023F6949E770, 16 bytes long.
 Data: <&#248;W&#195; &#247;           > F8 57 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023F6949EEA0, 16 bytes long.
 Data: <&#216;W&#195; &#247;           > D8 57 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023F6949E450, 16 bytes long.
 Data: <P &#195; &#247;           > 50 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023F6949E040, 16 bytes long.
 Data: <0 &#195; &#247;           > 30 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023F6949DFA0, 16 bytes long.
 Data: <&#224; &#195; &#247;           > E0 02 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000023F6949E720, 16 bytes long.
 Data: <  &#195; &#247;           > 10 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000023F6949E4A0, 16 bytes long.
 Data: <p &#195; &#247;           > 70 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000023F6949E630, 16 bytes long.
 Data: < &#192;&#193; &#247;           > 18 C0 C1 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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