Task 38679798

Name test_649-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5809_0
Workunit 31621559
Created 26 Oct 2026, 21:47:55 UTC
Sent 26 Oct 2026, 21:47:58 UTC
Report deadline 31 Oct 2026, 21:47:58 UTC
Received 26 Oct 2026, 22:12:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 23 min 25 sec
CPU time 20 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.71 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
17:49:21 (23784): wrapper (7.9.26016): starting
17:49:21 (23784): 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
17:49:23 (23784): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:49:23 (23784): 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
18:11:45 (23784): C:/Windows/system32/cmd.exe exited; CPU time 1209.546875
18:11:45 (23784): 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: 37266959 bytes.
Dumping objects ->
{3835602} normal block at 0x000002247FC7F900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x000002247FC7FF20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x000002247FC80070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x000002247F326C70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000002247F326B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x000002247FCCA850, 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) : {3835514} normal block at 0x000002247F31C7B0, 8 bytes long.
 Data: <    $   > 00 00 98 7F 24 02 00 00 
{3833973} normal block at 0x000002247F31C760, 8 bytes long.
 Data: <&#208;t&#210; $   > D0 74 D2 7F 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002247F322CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002247F317950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x000002247F327C80, 16 bytes long.
 Data: <(&#137;2 $           > 28 89 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002247F328310, 16 bytes long.
 Data: < &#137;2 $           > 00 89 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002247F320FE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x000002247F327690, 16 bytes long.
 Data: <&#216; 2 $           > D8 88 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002247F327FF0, 16 bytes long.
 Data: <&#176; 2 $           > B0 88 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002247F327DC0, 16 bytes long.
 Data: <  2 $           > 88 88 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002247F328090, 16 bytes long.
 Data: <` 2 $           > 60 88 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002247F3268F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x000002247F328130, 16 bytes long.
 Data: <  1 $           > 18 05 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002247F320E00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x000002247F327B90, 16 bytes long.
 Data: <&#240; 1 $           > F0 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002247F327F50, 16 bytes long.
 Data: <&#200; 1 $           > C8 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002247F327BE0, 16 bytes long.
 Data: <&#160; 1 $           > A0 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002247F327C30, 16 bytes long.
 Data: <x 1 $           > 78 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002247F3282C0, 16 bytes long.
 Data: <P 1 $           > 50 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002247F327F00, 16 bytes long.
 Data: <( 1 $           > 28 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002247F320680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x000002247F328450, 16 bytes long.
 Data: <  1 $           > 00 04 31 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002247F310400, 320 bytes long.
 Data: <P&#132;2 $     2 $   > 50 84 32 7F 24 02 00 00 80 06 32 7F 24 02 00 00 
{282} normal block at 0x000002247F327B40, 16 bytes long.
 Data: <@ 2 $           > 40 88 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002247F327A50, 16 bytes long.
 Data: <  2 $           > 18 88 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002247F3210A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x000002247F327D20, 16 bytes long.
 Data: <&#240;&#135;2 $           > F0 87 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002247F320F20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x000002247F327FA0, 16 bytes long.
 Data: <8&#135;2 $           > 38 87 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002247F3283B0, 16 bytes long.
 Data: < &#135;2 $           > 10 87 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002247F327AF0, 16 bytes long.
 Data: <&#232;&#134;2 $           > E8 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002247F3280E0, 16 bytes long.
 Data: <&#192;&#134;2 $           > C0 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002247F327AA0, 16 bytes long.
 Data: < &#134;2 $           > 98 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002247F327EB0, 16 bytes long.
 Data: <p&#134;2 $           > 70 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002247F327CD0, 16 bytes long.
 Data: <&#160;g2 $           > A0 67 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002247F3267A0, 40 bytes long.
 Data: <&#208;|2 $   P&#168;&#204; $   > D0 7C 32 7F 24 02 00 00 50 A8 CC 7F 24 02 00 00 
{268} normal block at 0x000002247F3278C0, 16 bytes long.
 Data: <P&#134;2 $           > 50 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002247F327E60, 16 bytes long.
 Data: <(&#134;2 $           > 28 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002247F320EC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x000002247F327730, 16 bytes long.
 Data: < &#134;2 $           > 00 86 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002247F328600, 992 bytes long.
 Data: <0w2 $   &#192; 2 $   > 30 77 32 7F 24 02 00 00 C0 0E 32 7F 24 02 00 00 
{100} normal block at 0x000002247F321160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000002247F31C580, 16 bytes long.
 Data: <0g2 $           > 30 67 32 7F 24 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x000002247F326730, 40 bytes long.
 Data: < &#197;1 $   ` 2 $   > 80 C5 31 7F 24 02 00 00 60 11 32 7F 24 02 00 00 
{77} normal block at 0x000002247F31BD10, 16 bytes long.
 Data: < &#234;&#236; &#247;           > 80 EA EC 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002247F31BC70, 16 bytes long.
 Data: <@&#233;&#236; &#247;           > 40 E9 EC 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002247F31C8A0, 16 bytes long.
 Data: <&#248;W&#233; &#247;           > F8 57 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002247F31BC20, 16 bytes long.
 Data: <&#216;W&#233; &#247;           > D8 57 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002247F31C440, 16 bytes long.
 Data: <P &#233; &#247;           > 50 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002247F31C990, 16 bytes long.
 Data: <0 &#233; &#247;           > 30 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002247F31BCC0, 16 bytes long.
 Data: <&#224; &#233; &#247;           > E0 02 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002247F31BD60, 16 bytes long.
 Data: <  &#233; &#247;           > 10 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002247F31C850, 16 bytes long.
 Data: <p &#233; &#247;           > 70 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002247F31C260, 16 bytes long.
 Data: < &#192;&#231; &#247;           > 18 C0 E7 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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