Task 38666457

Name test_600-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7740_0
Workunit 31609362
Created 25 Oct 2026, 3:19:51 UTC
Sent 25 Oct 2026, 3:49:46 UTC
Report deadline 30 Oct 2026, 3:49:46 UTC
Received 25 Oct 2026, 4:24:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 24 min 42 sec
CPU time 23 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.76 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:59:41 (6488): wrapper (7.9.26016): starting
23:59:41 (6488): 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
23:59:43 (6488): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:59:43 (6488): 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
00:23:40 (6488): C:/Windows/system32/cmd.exe exited; CPU time 1391.859375
00:23:40 (6488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27299857 bytes.
Dumping objects ->
{3835219} normal block at 0x0000029296905730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000029296905570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000292969053B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000292969052D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000029296905260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000292985CDB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002929862F450, 102 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) : {3835130} normal block at 0x00000292968FF4E0, 8 bytes long.
 Data: <  &#208;&#150;&#146;   > 00 00 D0 96 92 02 00 00 
{3834528} normal block at 0x000002929862F870, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000292968FF760, 8 bytes long.
 Data: <&#160;&#214;&#142;&#150;&#146;   > A0 D6 8E 96 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000029296902900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000292968EF1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000029296906000, 16 bytes long.
 Data: <&#200;o &#150;&#146;           > C8 6F 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029296906280, 16 bytes long.
 Data: <&#160;o &#150;&#146;           > A0 6F 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029296900C10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000029296905FB0, 16 bytes long.
 Data: <xo &#150;&#146;           > 78 6F 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000292969066E0, 16 bytes long.
 Data: <Po &#150;&#146;           > 50 6F 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029296906500, 16 bytes long.
 Data: <(o &#150;&#146;           > 28 6F 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029296906690, 16 bytes long.
 Data: < o &#150;&#146;           > 00 6F 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029296905340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000029296906960, 16 bytes long.
 Data: <h&#180;&#142;&#150;&#146;           > 68 B4 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029296900BB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000029296906AF0, 16 bytes long.
 Data: <@&#180;&#142;&#150;&#146;           > 40 B4 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029296906AA0, 16 bytes long.
 Data: < &#180;&#142;&#150;&#146;           > 18 B4 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029296905F60, 16 bytes long.
 Data: <&#240;&#179;&#142;&#150;&#146;           > F0 B3 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029296905F10, 16 bytes long.
 Data: <&#200;&#179;&#142;&#150;&#146;           > C8 B3 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029296906BE0, 16 bytes long.
 Data: <&#160;&#179;&#142;&#150;&#146;           > A0 B3 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000292969064B0, 16 bytes long.
 Data: <x&#179;&#142;&#150;&#146;           > 78 B3 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000292969005B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000029296906410, 16 bytes long.
 Data: <P&#179;&#142;&#150;&#146;           > 50 B3 8E 96 92 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000292968EB350, 320 bytes long.
 Data: < d &#150;&#146;   &#176;  &#150;&#146;   > 10 64 90 96 92 02 00 00 B0 05 90 96 92 02 00 00 
{269} normal block at 0x0000029296906460, 16 bytes long.
 Data: <&#224;n &#150;&#146;           > E0 6E 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029296905DD0, 16 bytes long.
 Data: <&#184;n &#150;&#146;           > B8 6E 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029296900370, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000029296905D80, 16 bytes long.
 Data: < n &#150;&#146;           > 90 6E 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029296900130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000029296905EC0, 16 bytes long.
 Data: <&#216;m &#150;&#146;           > D8 6D 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029296906730, 16 bytes long.
 Data: <&#176;m &#150;&#146;           > B0 6D 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000292969061E0, 16 bytes long.
 Data: < m &#150;&#146;           > 88 6D 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000292969067D0, 16 bytes long.
 Data: <`m &#150;&#146;           > 60 6D 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029296905E70, 16 bytes long.
 Data: <8m &#150;&#146;           > 38 6D 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029296906640, 16 bytes long.
 Data: < m &#150;&#146;           > 10 6D 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029296905E20, 16 bytes long.
 Data: < T &#150;&#146;           > 20 54 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029296905420, 40 bytes long.
 Data: < ^ &#150;&#146;    &#219;\ &#146;   > 20 5E 90 96 92 02 00 00 90 DB 5C 98 92 02 00 00 
{255} normal block at 0x00000292969063C0, 16 bytes long.
 Data: <&#240;l &#150;&#146;           > F0 6C 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029296906190, 16 bytes long.
 Data: <&#200;l &#150;&#146;           > C8 6C 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000292968FFEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000029296906370, 16 bytes long.
 Data: <&#160;l &#150;&#146;           > A0 6C 90 96 92 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000029296906CA0, 992 bytes long.
 Data: <pc &#150;&#146;   &#240;&#254; &#150;&#146;   > 70 63 90 96 92 02 00 00 F0 FE 8F 96 92 02 00 00 
{87} normal block at 0x00000292968FFE30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000292968FF710, 16 bytes long.
 Data: <@  &#150;&#146;           > 40 0C 8F 96 92 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000292968F0C40, 40 bytes long.
 Data: < &#247; &#150;&#146;   0&#254; &#150;&#146;   > 10 F7 8F 96 92 02 00 00 30 FE 8F 96 92 02 00 00 
{64} normal block at 0x00000292968FED60, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000292968FEE00, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000292968FFB70, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000292968FF620, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000292968FF2B0, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000292968FFA80, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000292968FF260, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000292968FFCB0, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000292968FFBC0, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000292968FFAD0, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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