Task 38665793

Name test_778-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0107_0
Workunit 31608847
Created 25 Oct 2026, 1:34:13 UTC
Sent 25 Oct 2026, 2:17:57 UTC
Report deadline 30 Oct 2026, 2:17:57 UTC
Received 25 Oct 2026, 5:25:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 2 hours 37 min 42 sec
CPU time 2 hours 37 min 42 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.32 MB
Peak swap size 10.00 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:47:58 (28424): wrapper (7.9.26016): starting
22:47:58 (28424): 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
22:47:59 (28424): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:47:59 (28424): 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
01:24:10 (28424): C:/Windows/system32/cmd.exe exited; CPU time 9462.062500
01:24:10 (28424): 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: 183351673 bytes.
Dumping objects ->
{3835270} normal block at 0x00000218574ACEF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000021855884AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000021855884A80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000218558849A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000021855884A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x00000218574F63B0, 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) : {3835182} normal block at 0x000002185587ED40, 8 bytes long.
 Data: <  &#199;U    > 00 00 C7 55 18 02 00 00 
{3833955} normal block at 0x000002185587EDE0, 8 bytes long.
 Data: <P&#217;&#134;U    > 50 D9 86 55 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021855880B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021855875D00, 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 0x0000021855884F30, 16 bytes long.
 Data: <xa U            > 78 61 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000218558854D0, 16 bytes long.
 Data: <Pa U            > 50 61 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002185587F900, 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 0x0000021855885020, 16 bytes long.
 Data: <(a U            > 28 61 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021855884EE0, 16 bytes long.
 Data: < a U            > 00 61 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021855885B10, 16 bytes long.
 Data: <&#216;` U            > D8 60 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021855885570, 16 bytes long.
 Data: <&#176;` U            > B0 60 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021855884690, 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 0x0000021855885DE0, 16 bytes long.
 Data: <&#168;&#244;&#134;U            > A8 F4 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002185587F960, 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 0x0000021855885D40, 16 bytes long.
 Data: < &#244;&#134;U            > 80 F4 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000218558852F0, 16 bytes long.
 Data: <X&#244;&#134;U            > 58 F4 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021855885480, 16 bytes long.
 Data: <0&#244;&#134;U            > 30 F4 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021855885AC0, 16 bytes long.
 Data: < &#244;&#134;U            > 08 F4 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021855885CA0, 16 bytes long.
 Data: <&#224;&#243;&#134;U            > E0 F3 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000218558856B0, 16 bytes long.
 Data: <&#184;&#243;&#134;U            > B8 F3 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002185587F5A0, 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 0x0000021855885A70, 16 bytes long.
 Data: < &#243;&#134;U            > 90 F3 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002185586F390, 320 bytes long.
 Data: <pZ U    &#160;&#245;&#135;U    > 70 5A 88 55 18 02 00 00 A0 F5 87 55 18 02 00 00 
{273} normal block at 0x0000021855884E90, 16 bytes long.
 Data: < ` U            > 90 60 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021855885C00, 16 bytes long.
 Data: <h` U            > 68 60 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002185587FF60, 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 0x00000218558859D0, 16 bytes long.
 Data: <@` U            > 40 60 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002185587FE40, 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 0x00000218558857F0, 16 bytes long.
 Data: < _ U            > 88 5F 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021855885520, 16 bytes long.
 Data: <`_ U            > 60 5F 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021855885C50, 16 bytes long.
 Data: <8_ U            > 38 5F 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021855885980, 16 bytes long.
 Data: < _ U            > 10 5F 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000218558857A0, 16 bytes long.
 Data: <&#232;^ U            > E8 5E 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021855885750, 16 bytes long.
 Data: <&#192;^ U            > C0 5E 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000218558851B0, 16 bytes long.
 Data: <&#208;K U            > D0 4B 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021855884BD0, 40 bytes long.
 Data: <&#176;Q U    &#176;cOW    > B0 51 88 55 18 02 00 00 B0 63 4F 57 18 02 00 00 
{259} normal block at 0x00000218558858E0, 16 bytes long.
 Data: <&#160;^ U            > A0 5E 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021855885CF0, 16 bytes long.
 Data: <x^ U            > 78 5E 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002185587F600, 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 0x0000021855884FD0, 16 bytes long.
 Data: <P^ U            > 50 5E 88 55 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021855885E50, 992 bytes long.
 Data: <&#208;O U     &#246;&#135;U    > D0 4F 88 55 18 02 00 00 00 F6 87 55 18 02 00 00 
{91} normal block at 0x000002185587F420, 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 0x000002185587ECF0, 16 bytes long.
 Data: < &#240;&#134;U            > 90 F0 86 55 18 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002185586F090, 40 bytes long.
 Data: <&#240;&#236;&#135;U     &#244;&#135;U    > F0 EC 87 55 18 02 00 00 20 F4 87 55 18 02 00 00 
{68} normal block at 0x000002185587E4D0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002185587EA20, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002185587EE30, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002185587EB10, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002185587E890, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002185587F010, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002185587E9D0, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002185587EAC0, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002185587EFC0, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002185587EF20, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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