Task 38645370

Name test_79-GPUGRID_TEST_ATM_100_20261023-0-1-RND6028_1
Workunit 31590316
Created 23 Oct 2026, 15:37:39 UTC
Sent 23 Oct 2026, 15:37:45 UTC
Report deadline 28 Oct 2026, 15:37:45 UTC
Received 23 Oct 2026, 18:08:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615524
Run time 1 hours 45 min 52 sec
CPU time 1 hours 40 min 37 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.83 MB
Peak swap size 5.23 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
01:19:35 (39272): wrapper (7.9.26016): starting
01:19:35 (39272): 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
01:19:36 (39272): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:19:36 (39272): 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 'D:\BOINC\slots\12\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 'D:\BOINC\slots\12\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
03:04:11 (39272): C:/Windows/system32/cmd.exe exited; CPU time 6037.656250
03:04:11 (39272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 137603173 bytes.
Dumping objects ->
{3835350} normal block at 0x0000018C11B607D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835339} normal block at 0x0000018C120036A0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835328} normal block at 0x0000018C12004420, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835317} normal block at 0x0000018C120043C0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835306} normal block at 0x0000018C120035E0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835275} normal block at 0x0000018C11B60F40, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835262} normal block at 0x0000018C10005990, 8 bytes long.
 Data: <  &#183;     > 00 00 B7 11 8C 01 00 00 
{3834045} normal block at 0x0000018C100058A0, 8 bytes long.
 Data: < Y      > 00 59 00 12 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000018C100110A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018C10011FE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000018C10012950, 16 bytes long.
 Data: <&#200;3              > C8 33 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018C10012E50, 16 bytes long.
 Data: < 3              > A0 33 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018C1000CB10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000018C10012EA0, 16 bytes long.
 Data: <x3              > 78 33 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018C10012FE0, 16 bytes long.
 Data: <P3              > 50 33 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018C10012630, 16 bytes long.
 Data: <(3              > 28 33 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018C10012BD0, 16 bytes long.
 Data: < 3              > 00 33 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018C1000A780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000018C100125E0, 16 bytes long.
 Data: <x               > 78 1F 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018C1000C2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000018C10012770, 16 bytes long.
 Data: <P               > 50 1F 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C10012900, 16 bytes long.
 Data: <(               > 28 1F 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018C10012810, 16 bytes long.
 Data: <                > 00 1F 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018C10012C70, 16 bytes long.
 Data: <&#216;               > D8 1E 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018C10012B80, 16 bytes long.
 Data: <&#176;               > B0 1E 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018C10012590, 16 bytes long.
 Data: <                > 88 1E 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018C1000C450, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000018C100129F0, 16 bytes long.
 Data: <`               > 60 1E 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018C10011E60, 320 bytes long.
 Data: < )      P&#196;      > F0 29 01 10 8C 01 00 00 50 C4 00 10 8C 01 00 00 
{273} normal block at 0x0000018C100124F0, 16 bytes long.
 Data: < 2              > E0 32 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018C10012C20, 16 bytes long.
 Data: <&#184;2              > B8 32 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018C1000C1B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000018C100128B0, 16 bytes long.
 Data: < 2              > 90 32 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018C1000C270, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000018C10012D10, 16 bytes long.
 Data: <&#216;1              > D8 31 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018C10012EF0, 16 bytes long.
 Data: <&#176;1              > B0 31 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C100124A0, 16 bytes long.
 Data: < 1              > 88 31 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018C10012CC0, 16 bytes long.
 Data: <`1              > 60 31 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018C10012450, 16 bytes long.
 Data: <81              > 38 31 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018C10012270, 16 bytes long.
 Data: < 1              > 10 31 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018C100129A0, 16 bytes long.
 Data: <&#176;&#169;              > B0 A9 00 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018C1000A9B0, 40 bytes long.
 Data: < )      @ &#182;     > A0 29 01 10 8C 01 00 00 40 0F B6 11 8C 01 00 00 
{259} normal block at 0x0000018C10012AE0, 16 bytes long.
 Data: < 0              > F0 30 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018C10012310, 16 bytes long.
 Data: <&#200;0              > C8 30 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018C1000CA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000018C10012B30, 16 bytes long.
 Data: < 0              > A0 30 01 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018C100130A0, 992 bytes long.
 Data: <0+      P&#202;      > 30 2B 01 10 8C 01 00 00 50 CA 00 10 8C 01 00 00 
{91} normal block at 0x0000018C1000C510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000018C10005850, 16 bytes long.
 Data: <@&#169;              > 40 A9 00 10 8C 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000018C1000A940, 40 bytes long.
 Data: <PX       &#197;      > 50 58 00 10 8C 01 00 00 10 C5 00 10 8C 01 00 00 
{66} normal block at 0x0000018C10005C60, 16 bytes long.
 Data: <                > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018C10006070, 16 bytes long.
 Data: <@               > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018C100057B0, 16 bytes long.
 Data: < W              > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018C10006160, 16 bytes long.
 Data: <&#216;W              > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018C100058F0, 16 bytes long.
 Data: <P               > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018C10006480, 16 bytes long.
 Data: <0               > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018C100063E0, 16 bytes long.
 Data: <                > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018C10006570, 16 bytes long.
 Data: <                > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018C10005B20, 16 bytes long.
 Data: <p               > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018C10006110, 16 bytes long.
 Data: < &#192;              > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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