Task 38683923

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7783_1
Workunit 31624949
Created 27 Oct 2026, 13:55:34 UTC
Sent 27 Oct 2026, 13:55:37 UTC
Report deadline 1 Nov 2026, 13:55:37 UTC
Received 27 Oct 2026, 15:56:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 1 hours 59 min 22 sec
CPU time 1 hours 41 min 43 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 649.62 MB
Peak swap size 2.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:58:57 (9420): wrapper (7.9.26016): starting
07:58:57 (9420): 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
07:58:59 (9420): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:58:59 (9420): 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\5\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\5\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
09:56:07 (9420): C:/Windows/system32/cmd.exe exited; CPU time 6103.437500
09:56:07 (9420): 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: 77076129 bytes.
Dumping objects ->
{3835279} normal block at 0x00000242935E0C30, 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 0x00000242935E1100, 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 0x00000242935E1410, 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 0x00000242935E12C0, 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 0x00000242935E0A00, 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 0x000002429368F160, 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 0x0000024291B25B20, 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 0x0000024291B19F60, 8 bytes long.
 Data: <  &#175;&#145;B   > 00 00 AF 91 42 02 00 00 
{3834573} normal block at 0x0000024291B25070, 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 0x0000024291B19BF0, 8 bytes long.
 Data: < &#148;n&#147;B   > 10 94 6E 93 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024291B22DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024291B23D00, 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 0x0000024291B24080, 16 bytes long.
 Data: <&#168;b&#178;&#145;B           > A8 62 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024291B24030, 16 bytes long.
 Data: < b&#178;&#145;B           > 80 62 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024291B20AD0, 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 0x0000024291B23FE0, 16 bytes long.
 Data: <Xb&#178;&#145;B           > 58 62 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024291B24260, 16 bytes long.
 Data: <0b&#178;&#145;B           > 30 62 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024291B23F40, 16 bytes long.
 Data: < b&#178;&#145;B           > 08 62 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024291B24AD0, 16 bytes long.
 Data: <&#224;a&#178;&#145;B           > E0 61 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024291B1F600, 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 0x0000024291B24A80, 16 bytes long.
 Data: < <&#178;&#145;B           > 98 3C B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024291B206B0, 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 0x0000024291B24990, 16 bytes long.
 Data: <p<&#178;&#145;B           > 70 3C B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024291B247B0, 16 bytes long.
 Data: <H<&#178;&#145;B           > 48 3C B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024291B24C60, 16 bytes long.
 Data: < <&#178;&#145;B           > 20 3C B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024291B240D0, 16 bytes long.
 Data: <&#248;;&#178;&#145;B           > F8 3B B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024291B24440, 16 bytes long.
 Data: <&#208;;&#178;&#145;B           > D0 3B B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024291B24300, 16 bytes long.
 Data: <&#168;;&#178;&#145;B           > A8 3B B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024291B20770, 32 bytes long.
 Data: <CUDA_DEVICE=2 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 32 00 50 55 
{270} normal block at 0x0000024291B23EF0, 16 bytes long.
 Data: < ;&#178;&#145;B           > 80 3B B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024291B23B80, 320 bytes long.
 Data: <&#240;>&#178;&#145;B   p &#178;&#145;B   > F0 3E B2 91 42 02 00 00 70 07 B2 91 42 02 00 00 
{268} normal block at 0x0000024291B24530, 16 bytes long.
 Data: <&#192;a&#178;&#145;B           > C0 61 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024291B246C0, 16 bytes long.
 Data: < a&#178;&#145;B           > 98 61 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024291B20BF0, 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 0x0000024291B24760, 16 bytes long.
 Data: <pa&#178;&#145;B           > 70 61 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024291B20350, 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 0x0000024291B24C10, 16 bytes long.
 Data: <&#184;`&#178;&#145;B           > B8 60 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024291B249E0, 16 bytes long.
 Data: < `&#178;&#145;B           > 90 60 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024291B24670, 16 bytes long.
 Data: <h`&#178;&#145;B           > 68 60 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024291B241C0, 16 bytes long.
 Data: <@`&#178;&#145;B           > 40 60 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024291B245D0, 16 bytes long.
 Data: < `&#178;&#145;B           > 18 60 B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024291B24B70, 16 bytes long.
 Data: <&#240;_&#178;&#145;B           > F0 5F B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024291B24170, 16 bytes long.
 Data: < &#245;&#177;&#145;B           > 90 F5 B1 91 42 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024291B1F590, 40 bytes long.
 Data: <pA&#178;&#145;B   `&#241;h&#147;B   > 70 41 B2 91 42 02 00 00 60 F1 68 93 42 02 00 00 
{254} normal block at 0x0000024291B24940, 16 bytes long.
 Data: <&#208;_&#178;&#145;B           > D0 5F B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024291B24490, 16 bytes long.
 Data: <&#168;_&#178;&#145;B           > A8 5F B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024291B20EF0, 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 0x0000024291B23F90, 16 bytes long.
 Data: < _&#178;&#145;B           > 80 5F B2 91 42 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000024291B25F80, 992 bytes long.
 Data: < ?&#178;&#145;B   &#240; &#178;&#145;B   > 90 3F B2 91 42 02 00 00 F0 0E B2 91 42 02 00 00 
{86} normal block at 0x0000024291B20650, 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 0x0000024291B19BA0, 16 bytes long.
 Data: < &#249;&#177;&#145;B           > 80 F9 B1 91 42 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000024291B1F980, 40 bytes long.
 Data: <&#160;&#155;&#177;&#145;B   P &#178;&#145;B   > A0 9B B1 91 42 02 00 00 50 06 B2 91 42 02 00 00 
{63} normal block at 0x0000024291B19C90, 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 0x0000024291B19A60, 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 0x0000024291B191F0, 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 0x0000024291B196A0, 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 0x0000024291B19290, 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 0x0000024291B19A10, 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 0x0000024291B19F10, 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 0x0000024291B19470, 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 0x0000024291B19DD0, 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 0x0000024291B19E70, 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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