Task 38687403

Name test_310-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6075_0
Workunit 31628794
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, 7:57:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 18 min 21 sec
CPU time 16 min 53 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 758.79 MB
Peak swap size 11.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:39:10 (40468): wrapper (7.9.26016): starting
00:39:10 (40468): 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
00:39:11 (40468): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:39:11 (40468): 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
00:56:39 (40468): C:/Windows/system32/cmd.exe exited; CPU time 1013.500000
00:56:39 (40468): 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: 24251593 bytes.
Dumping objects ->
{3835512} normal block at 0x0000016F876950B0, 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 0x0000016F87695040, 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 0x0000016F87695200, 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 0x0000016F87695430, 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 0x0000016F876953C0, 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 0x0000016F89557F30, 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 0x0000016F8956EC30, 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 0x0000016F8768FD80, 8 bytes long.
 Data: <  &#183;&#135;o   > 00 00 B7 87 6F 01 00 00 
{3834678} normal block at 0x0000016F8956F050, 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 0x0000016F8768FB00, 8 bytes long.
 Data: <&#240;F[&#137;o   > F0 46 5B 89 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000016F8768DF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016F87686670, 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 0x0000016F87695D20, 16 bytes long.
 Data: < li&#135;o           > 98 6C 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016F87695BE0, 16 bytes long.
 Data: <pli&#135;o           > 70 6C 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016F87690440, 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 0x0000016F87695F00, 16 bytes long.
 Data: <Hli&#135;o           > 48 6C 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016F87695B40, 16 bytes long.
 Data: < li&#135;o           > 20 6C 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016F876960E0, 16 bytes long.
 Data: <&#248;ki&#135;o           > F8 6B 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016F87695AF0, 16 bytes long.
 Data: <&#208;ki&#135;o           > D0 6B 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016F87694F60, 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 0x0000016F87695AA0, 16 bytes long.
 Data: <H&#147;h&#135;o           > 48 93 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016F8768FFC0, 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 0x0000016F87695FF0, 16 bytes long.
 Data: < &#147;h&#135;o           > 20 93 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016F87695A00, 16 bytes long.
 Data: <&#248;&#146;h&#135;o           > F8 92 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016F87696720, 16 bytes long.
 Data: <&#208;&#146;h&#135;o           > D0 92 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016F87696680, 16 bytes long.
 Data: <&#168;&#146;h&#135;o           > A8 92 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016F87696860, 16 bytes long.
 Data: < &#146;h&#135;o           > 80 92 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016F876966D0, 16 bytes long.
 Data: <X&#146;h&#135;o           > 58 92 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016F876904A0, 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 0x0000016F87695B90, 16 bytes long.
 Data: <0&#146;h&#135;o           > 30 92 68 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016F87689230, 320 bytes long.
 Data: < [i&#135;o   &#160; i&#135;o   > 90 5B 69 87 6F 01 00 00 A0 04 69 87 6F 01 00 00 
{275} normal block at 0x0000016F87695F50, 16 bytes long.
 Data: <&#176;ki&#135;o           > B0 6B 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016F87696810, 16 bytes long.
 Data: < ki&#135;o           > 88 6B 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016F876900E0, 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 0x0000016F87695DC0, 16 bytes long.
 Data: <`ki&#135;o           > 60 6B 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016F87690320, 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 0x0000016F876968B0, 16 bytes long.
 Data: <&#168;ji&#135;o           > A8 6A 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016F876959B0, 16 bytes long.
 Data: < ji&#135;o           > 80 6A 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016F87696770, 16 bytes long.
 Data: <Xji&#135;o           > 58 6A 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016F87696310, 16 bytes long.
 Data: <0ji&#135;o           > 30 6A 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016F876965E0, 16 bytes long.
 Data: < ji&#135;o           > 08 6A 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016F87696540, 16 bytes long.
 Data: <&#224;ii&#135;o           > E0 69 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016F87696270, 16 bytes long.
 Data: <&#160;Ti&#135;o           > A0 54 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016F876954A0, 40 bytes long.
 Data: <pbi&#135;o   0 U&#137;o   > 70 62 69 87 6F 01 00 00 30 7F 55 89 6F 01 00 00 
{261} normal block at 0x0000016F87696900, 16 bytes long.
 Data: <&#192;ii&#135;o           > C0 69 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016F876962C0, 16 bytes long.
 Data: < ii&#135;o           > 98 69 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016F8768FEA0, 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 0x0000016F87695FA0, 16 bytes long.
 Data: <pii&#135;o           > 70 69 69 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016F87696970, 992 bytes long.
 Data: <&#160;_i&#135;o   &#160;&#254;h&#135;o   > A0 5F 69 87 6F 01 00 00 A0 FE 68 87 6F 01 00 00 
{93} normal block at 0x0000016F876903E0, 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 0x0000016F8768FD30, 16 bytes long.
 Data: < &#202;g&#135;o           > 10 CA 67 87 6F 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000016F8767CA10, 40 bytes long.
 Data: <0&#253;h&#135;o   &#224; i&#135;o   > 30 FD 68 87 6F 01 00 00 E0 03 69 87 6F 01 00 00 
{70} normal block at 0x0000016F8768F6A0, 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 0x0000016F8768F650, 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 0x0000016F8768F290, 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 0x0000016F8768FA10, 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 0x0000016F8768F600, 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 0x0000016F8768FCE0, 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 0x0000016F8768F380, 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 0x0000016F8768F010, 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 0x0000016F8768F5B0, 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 0x0000016F8768F330, 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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