Task 38687402

Name test_200-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1719_0
Workunit 31628793
Created 28 Oct 2026, 7:38:08 UTC
Sent 28 Oct 2026, 7:38:11 UTC
Report deadline 2 Nov 2026, 7:38:11 UTC
Received 28 Oct 2026, 8:14:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 17 min 18 sec
CPU time 15 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.36 MB
Peak swap size 11.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:57:33 (49628): wrapper (7.9.26016): starting
00:57:33 (49628): 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
00:57:34 (49628): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:57:34 (49628): 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\17\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\17\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
01:14:02 (49628): C:/Windows/system32/cmd.exe exited; CPU time 940.921875
01:14:02 (49628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23054753 bytes.
Dumping objects ->
{3835512} normal block at 0x00000206C7945280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x00000206C79454B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x00000206C7945360, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x00000206C79452F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x00000206C7945210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x00000206C95EC130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x00000206C95FEFA0, 102 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) : {3835423} normal block at 0x00000206C793F8E0, 8 bytes long.
 Data: <  &#212;&#199;    > 00 00 D4 C7 06 02 00 00 
{3834678} normal block at 0x00000206C95FF680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000206C793F070, 8 bytes long.
 Data: <&#160;&#218;&#146;&#199;    > A0 DA 92 C7 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000206C793E410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000206C79369E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000206C7946050, 16 bytes long.
 Data: <&#168;l&#148;&#199;            > A8 6C 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000206C7945BA0, 16 bytes long.
 Data: < l&#148;&#199;            > 80 6C 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206C79401B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000206C79465F0, 16 bytes long.
 Data: <Xl&#148;&#199;            > 58 6C 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000206C7945FB0, 16 bytes long.
 Data: <0l&#148;&#199;            > 30 6C 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206C7945B50, 16 bytes long.
 Data: < l&#148;&#199;            > 08 6C 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206C7946280, 16 bytes long.
 Data: <&#224;k&#148;&#199;            > E0 6B 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000206C7944E90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000206C7945AB0, 16 bytes long.
 Data: <&#248;&#245;&#146;&#199;            > F8 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206C7940090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000206C7946410, 16 bytes long.
 Data: <&#208;&#245;&#146;&#199;            > D0 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206C7945F60, 16 bytes long.
 Data: <&#168;&#245;&#146;&#199;            > A8 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206C7946000, 16 bytes long.
 Data: < &#245;&#146;&#199;            > 80 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206C7945DD0, 16 bytes long.
 Data: <X&#245;&#146;&#199;            > 58 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206C79460A0, 16 bytes long.
 Data: <0&#245;&#146;&#199;            > 30 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206C7945E20, 16 bytes long.
 Data: < &#245;&#146;&#199;            > 08 F5 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000206C79404B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000206C79467D0, 16 bytes long.
 Data: <&#224;&#244;&#146;&#199;            > E0 F4 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000206C792F4E0, 320 bytes long.
 Data: <&#208;g&#148;&#199;    &#176; &#148;&#199;    > D0 67 94 C7 06 02 00 00 B0 04 94 C7 06 02 00 00 
{275} normal block at 0x00000206C7945A60, 16 bytes long.
 Data: <&#192;k&#148;&#199;            > C0 6B 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206C7945B00, 16 bytes long.
 Data: < k&#148;&#199;            > 98 6B 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206C7940150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000206C7946140, 16 bytes long.
 Data: <pk&#148;&#199;            > 70 6B 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206C7940330, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000206C7945D80, 16 bytes long.
 Data: <&#184;j&#148;&#199;            > B8 6A 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206C79465A0, 16 bytes long.
 Data: < j&#148;&#199;            > 90 6A 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206C7945F10, 16 bytes long.
 Data: <hj&#148;&#199;            > 68 6A 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206C7945EC0, 16 bytes long.
 Data: <@j&#148;&#199;            > 40 6A 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206C7945C40, 16 bytes long.
 Data: < j&#148;&#199;            > 18 6A 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206C7945CE0, 16 bytes long.
 Data: <&#240;i&#148;&#199;            > F0 69 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206C79459C0, 16 bytes long.
 Data: <&#208;S&#148;&#199;            > D0 53 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206C79453D0, 40 bytes long.
 Data: <&#192;Y&#148;&#199;    0&#193;^&#201;    > C0 59 94 C7 06 02 00 00 30 C1 5E C9 06 02 00 00 
{261} normal block at 0x00000206C7946230, 16 bytes long.
 Data: <&#208;i&#148;&#199;            > D0 69 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206C7946550, 16 bytes long.
 Data: <&#168;i&#148;&#199;            > A8 69 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000206C7940A50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000206C7946500, 16 bytes long.
 Data: < i&#148;&#199;            > 80 69 94 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000206C7946980, 992 bytes long.
 Data: < e&#148;&#199;    P &#148;&#199;    > 00 65 94 C7 06 02 00 00 50 0A 94 C7 06 02 00 00 
{93} normal block at 0x00000206C793FFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000206C793F7F0, 16 bytes long.
 Data: < &#232;&#146;&#199;            > 90 E8 92 C7 06 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000206C792E890, 40 bytes long.
 Data: <&#240;&#247;&#147;&#199;    &#208;&#255;&#147;&#199;    > F0 F7 93 C7 06 02 00 00 D0 FF 93 C7 06 02 00 00 
{70} normal block at 0x00000206C793F890, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000206C793F840, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206C793FD40, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206C793FC00, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206C793F5C0, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206C793F520, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206C793FA70, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000206C793F6B0, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000206C793F2F0, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000206C793F4D0, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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