Task 38686028

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0592_0
Workunit 31627477
Created 28 Oct 2026, 0:15:04 UTC
Sent 28 Oct 2026, 0:15:08 UTC
Report deadline 2 Nov 2026, 0:15:08 UTC
Received 28 Oct 2026, 2:22:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 3 min 48 sec
CPU time 1 hours 0 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.95 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:19:17 (15144): wrapper (7.9.26016): starting
20:19:17 (15144): 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
20:19:18 (15144): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:19:18 (15144): 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\8\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\8\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
21:22:34 (15144): C:/Windows/system32/cmd.exe exited; CPU time 3654.312500
21:22:34 (15144): 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: 47362711 bytes.
Dumping objects ->
{3835176} normal block at 0x0000017F64D96800, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000017F64D97130, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000017F64D96F70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x0000017F64D96950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x0000017F64D96480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x0000017F6699C740, 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) : {3835088} normal block at 0x0000017F64D68930, 8 bytes long.
 Data: <  &#212;d    > 00 00 D4 64 7F 01 00 00 
{3833945} normal block at 0x0000017F64D68340, 8 bytes long.
 Data: <p&#158;&#131;f    > 70 9E 83 66 7F 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000017F64D71FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017F64D5DFB0, 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 0x0000017F64D73080, 16 bytes long.
 Data: <&#216;A&#215;d            > D8 41 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017F64D73580, 16 bytes long.
 Data: <&#176;A&#215;d            > B0 41 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017F64D6EAA0, 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 0x0000017F64D73D00, 16 bytes long.
 Data: < A&#215;d            > 88 41 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017F64D73CB0, 16 bytes long.
 Data: <`A&#215;d            > 60 41 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017F64D73C60, 16 bytes long.
 Data: <8A&#215;d            > 38 41 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017F64D73BC0, 16 bytes long.
 Data: < A&#215;d            > 10 41 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017F64D6C910, 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 0x0000017F64D73210, 16 bytes long.
 Data: <(&#203;&#213;d            > 28 CB D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017F64D6E4A0, 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 0x0000017F64D73620, 16 bytes long.
 Data: < &#203;&#213;d            > 00 CB D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017F64D73B70, 16 bytes long.
 Data: <&#216;&#202;&#213;d            > D8 CA D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017F64D73AD0, 16 bytes long.
 Data: <&#176;&#202;&#213;d            > B0 CA D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017F64D73940, 16 bytes long.
 Data: < &#202;&#213;d            > 88 CA D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017F64D73C10, 16 bytes long.
 Data: <`&#202;&#213;d            > 60 CA D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017F64D73990, 16 bytes long.
 Data: <8&#202;&#213;d            > 38 CA D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017F64D6DFC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000017F64D73440, 16 bytes long.
 Data: < &#202;&#213;d            > 10 CA D5 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017F64D5CA10, 320 bytes long.
 Data: <@4&#215;d    &#192;&#223;&#214;d    > 40 34 D7 64 7F 01 00 00 C0 DF D6 64 7F 01 00 00 
{268} normal block at 0x0000017F64D73030, 16 bytes long.
 Data: <&#240;@&#215;d            > F0 40 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017F64D738F0, 16 bytes long.
 Data: <&#200;@&#215;d            > C8 40 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017F64D6DCC0, 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 0x0000017F64D730D0, 16 bytes long.
 Data: <&#160;@&#215;d            > A0 40 D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017F64D6DD80, 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 0x0000017F64D72FE0, 16 bytes long.
 Data: <&#232;?&#215;d            > E8 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017F64D72F40, 16 bytes long.
 Data: <&#192;?&#215;d            > C0 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017F64D73D50, 16 bytes long.
 Data: < ?&#215;d            > 98 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017F64D738A0, 16 bytes long.
 Data: <p?&#215;d            > 70 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017F64D73A80, 16 bytes long.
 Data: <H?&#215;d            > 48 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017F64D72EF0, 16 bytes long.
 Data: < ?&#215;d            > 20 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017F64D739E0, 16 bytes long.
 Data: <`&#202;&#214;d            > 60 CA D6 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017F64D6CA60, 40 bytes long.
 Data: <&#224;9&#215;d    @&#199; f    > E0 39 D7 64 7F 01 00 00 40 C7 99 66 7F 01 00 00 
{254} normal block at 0x0000017F64D73B20, 16 bytes long.
 Data: < ?&#215;d            > 00 3F D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017F64D73E40, 16 bytes long.
 Data: <&#216;>&#215;d            > D8 3E D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017F64D6E020, 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 0x0000017F64D73800, 16 bytes long.
 Data: <&#176;>&#215;d            > B0 3E D7 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000017F64D73EB0, 992 bytes long.
 Data: < 8&#215;d     &#224;&#214;d    > 00 38 D7 64 7F 01 00 00 20 E0 D6 64 7F 01 00 00 
{86} normal block at 0x0000017F64D6EA40, 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 0x0000017F64D68AC0, 16 bytes long.
 Data: <&#160;&#207;&#214;d            > A0 CF D6 64 7F 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000017F64D6CFA0, 40 bytes long.
 Data: <&#192;&#138;&#214;d    @&#234;&#214;d    > C0 8A D6 64 7F 01 00 00 40 EA D6 64 7F 01 00 00 
{63} normal block at 0x0000017F64D682A0, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017F64D680C0, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017F64D68520, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017F64D67DF0, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017F64D68890, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017F64D688E0, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017F64D689D0, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017F64D68390, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017F64D67CB0, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000017F64D684D0, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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