Task 38655233

Name test_394-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND8154_1
Workunit 31598728
Created 24 Oct 2026, 8:39:18 UTC
Sent 24 Oct 2026, 8:39:22 UTC
Report deadline 29 Oct 2026, 8:39:22 UTC
Received 24 Oct 2026, 11:37:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 43 min 42 sec
CPU time 40 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.75 MB
Peak swap size 5.36 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:54:38 (33688): wrapper (7.9.26016): starting
12:54:38 (33688): 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
12:54:40 (33688): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:41 (33688): 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
13:37:08 (33688): C:/Windows/system32/cmd.exe exited; CPU time 2413.718750
13:37:08 (33688): 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: 50183371 bytes.
Dumping objects ->
{3835277} normal block at 0x000002414830D250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002414830CDF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002414830D5D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000002414830C840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000241466794F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000024148271500, 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) : {3835189} normal block at 0x000002414666C410, 8 bytes long.
 Data: <  &#193;FA   > 00 00 C1 46 41 02 00 00 
{3833985} normal block at 0x000002414666C3C0, 8 bytes long.
 Data: <`&#139;4HA   > 60 8B 34 48 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000024146671830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000024146668270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000002414667A280, 16 bytes long.
 Data: < &#171;gFA           > 18 AB 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002414667A190, 16 bytes long.
 Data: <&#240;&#170;gFA           > F0 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000241466738D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000024146679FB0, 16 bytes long.
 Data: <&#200;&#170;gFA           > C8 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000024146679F10, 16 bytes long.
 Data: <&#160;&#170;gFA           > A0 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000241466798D0, 16 bytes long.
 Data: <x&#170;gFA           > 78 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000024146679F60, 16 bytes long.
 Data: <P&#170;gFA           > 50 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024146679640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000002414667A6E0, 16 bytes long.
 Data: <H&#254;eFA           > 48 FE 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024146673F30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000002414667A0F0, 16 bytes long.
 Data: < &#254;eFA           > 20 FE 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002414667A5A0, 16 bytes long.
 Data: <&#248;&#253;eFA           > F8 FD 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002414667A4B0, 16 bytes long.
 Data: <&#208;&#253;eFA           > D0 FD 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024146679BA0, 16 bytes long.
 Data: <&#168;&#253;eFA           > A8 FD 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024146679880, 16 bytes long.
 Data: < &#253;eFA           > 80 FD 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024146679EC0, 16 bytes long.
 Data: <X&#253;eFA           > 58 FD 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024146673ED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000002414667A730, 16 bytes long.
 Data: <0&#253;eFA           > 30 FD 65 46 41 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002414665FD30, 320 bytes long.
 Data: <0&#167;gFA   &#208;>gFA   > 30 A7 67 46 41 02 00 00 D0 3E 67 46 41 02 00 00 
{288} normal block at 0x000002414667A690, 16 bytes long.
 Data: <0&#170;gFA           > 30 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024146679B50, 16 bytes long.
 Data: < &#170;gFA           > 08 AA 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024146673B10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000024146679D80, 16 bytes long.
 Data: <&#224;&#169;gFA           > E0 A9 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024146674110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000024146679B00, 16 bytes long.
 Data: <(&#169;gFA           > 28 A9 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002414667A0A0, 16 bytes long.
 Data: < &#169;gFA           > 00 A9 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024146679830, 16 bytes long.
 Data: <&#216;&#168;gFA           > D8 A8 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002414667A050, 16 bytes long.
 Data: <&#176;&#168;gFA           > B0 A8 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002414667A1E0, 16 bytes long.
 Data: < &#168;gFA           > 88 A8 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002414667A320, 16 bytes long.
 Data: <`&#168;gFA           > 60 A8 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024146679D30, 16 bytes long.
 Data: <p&#145;gFA           > 70 91 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024146679170, 40 bytes long.
 Data: <0 gFA     'HA   > 30 9D 67 46 41 02 00 00 00 15 27 48 41 02 00 00 
{274} normal block at 0x000002414667A550, 16 bytes long.
 Data: <@&#168;gFA           > 40 A8 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024146679CE0, 16 bytes long.
 Data: < &#168;gFA           > 18 A8 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024146673AB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000002414667A640, 16 bytes long.
 Data: <&#240;&#167;gFA           > F0 A7 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002414667A7F0, 992 bytes long.
 Data: <@&#166;gFA   &#176;:gFA   > 40 A6 67 46 41 02 00 00 B0 3A 67 46 41 02 00 00 
{106} normal block at 0x0000024146673CF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000002414666C0A0, 16 bytes long.
 Data: <`&#149;gFA           > 60 95 67 46 41 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000024146679560, 40 bytes long.
 Data: <&#160;&#192;fFA   &#240;<gFA   > A0 C0 66 46 41 02 00 00 F0 3C 67 46 41 02 00 00 
{83} normal block at 0x000002414666C4B0, 16 bytes long.
 Data: < &#234;&#176;&#213;&#246;           > 80 EA B0 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002414666C870, 16 bytes long.
 Data: <@&#233;&#176;&#213;&#246;           > 40 E9 B0 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002414666C5A0, 16 bytes long.
 Data: <&#248;W&#173;&#213;&#246;           > F8 57 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002414666C140, 16 bytes long.
 Data: <&#216;W&#173;&#213;&#246;           > D8 57 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002414666C500, 16 bytes long.
 Data: <P &#173;&#213;&#246;           > 50 04 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002414666CBE0, 16 bytes long.
 Data: <0 &#173;&#213;&#246;           > 30 04 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002414666BF10, 16 bytes long.
 Data: <&#224; &#173;&#213;&#246;           > E0 02 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002414666C6E0, 16 bytes long.
 Data: <  &#173;&#213;&#246;           > 10 04 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002414666C2D0, 16 bytes long.
 Data: <p &#173;&#213;&#246;           > 70 04 AD D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002414666C8C0, 16 bytes long.
 Data: < &#192;&#171;&#213;&#246;           > 18 C0 AB D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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