Task 38663945

Name test_175-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND5121_0
Workunit 31607132
Created 24 Oct 2026, 22:58:53 UTC
Sent 24 Oct 2026, 22:59:04 UTC
Report deadline 29 Oct 2026, 22:59:04 UTC
Received 25 Oct 2026, 0:50:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 59 min 48 sec
CPU time 46 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.38 MB
Peak swap size 6.99 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:00:27 (2408): wrapper (7.9.26016): starting
16:00:27 (2408): 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
16:00:34 (2408): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:00:34 (2408): 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\3\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\3\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
17:00:52 (2408): C:/Windows/system32/cmd.exe exited; CPU time 2771.937500
17:00:52 (2408): 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: 46149487 bytes.
Dumping objects ->
{3835561} normal block at 0x00000193A5F3DB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x00000193A42A4A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000193A42A4A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x00000193A42A4990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x00000193A42A4760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x00000193A5F85400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x00000193A5F9F0D0, 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) : {3835472} normal block at 0x00000193A429EAB0, 8 bytes long.
 Data: <  n&#164;&#147;   > 00 00 6E A4 93 01 00 00 
{3834691} normal block at 0x00000193A5F9F180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000193A429EA10, 8 bytes long.
 Data: < I&#254;&#165;&#147;   > 90 49 FE A5 93 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000193A42A08A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000193A4296320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000193A42A5A10, 16 bytes long.
 Data: <xe*&#164;&#147;           > 78 65 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000193A42A5740, 16 bytes long.
 Data: <Pe*&#164;&#147;           > 50 65 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000193A429FC90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000193A42A56F0, 16 bytes long.
 Data: <(e*&#164;&#147;           > 28 65 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000193A42A6140, 16 bytes long.
 Data: < e*&#164;&#147;           > 00 65 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000193A42A5560, 16 bytes long.
 Data: <&#216;d*&#164;&#147;           > D8 64 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000193A42A5420, 16 bytes long.
 Data: <&#176;d*&#164;&#147;           > B0 64 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000193A42A4840, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000193A42A6190, 16 bytes long.
 Data: <X&#230;)&#164;&#147;           > 58 E6 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000193A42A0050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000193A42A5790, 16 bytes long.
 Data: <0&#230;)&#164;&#147;           > 30 E6 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000193A42A5D80, 16 bytes long.
 Data: < &#230;)&#164;&#147;           > 08 E6 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000193A42A5650, 16 bytes long.
 Data: <&#224;&#229;)&#164;&#147;           > E0 E5 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000193A42A5380, 16 bytes long.
 Data: <&#184;&#229;)&#164;&#147;           > B8 E5 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000193A42A59C0, 16 bytes long.
 Data: < &#229;)&#164;&#147;           > 90 E5 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000193A42A5C40, 16 bytes long.
 Data: <h&#229;)&#164;&#147;           > 68 E5 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000193A429FDB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000193A42A5600, 16 bytes long.
 Data: <@&#229;)&#164;&#147;           > 40 E5 29 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000193A429E540, 320 bytes long.
 Data: < V*&#164;&#147;   &#176;&#253;)&#164;&#147;   > 00 56 2A A4 93 01 00 00 B0 FD 29 A4 93 01 00 00 
{277} normal block at 0x00000193A42A5970, 16 bytes long.
 Data: < d*&#164;&#147;           > 90 64 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000193A42A5BF0, 16 bytes long.
 Data: <hd*&#164;&#147;           > 68 64 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000193A429FD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000193A42A58D0, 16 bytes long.
 Data: <@d*&#164;&#147;           > 40 64 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000193A429FB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000193A42A5510, 16 bytes long.
 Data: < c*&#164;&#147;           > 88 63 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000193A42A5920, 16 bytes long.
 Data: <`c*&#164;&#147;           > 60 63 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000193A42A54C0, 16 bytes long.
 Data: <8c*&#164;&#147;           > 38 63 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000193A42A5F10, 16 bytes long.
 Data: < c*&#164;&#147;           > 10 63 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000193A42A60F0, 16 bytes long.
 Data: <&#232;b*&#164;&#147;           > E8 62 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000193A42A5330, 16 bytes long.
 Data: <&#192;b*&#164;&#147;           > C0 62 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000193A42A60A0, 16 bytes long.
 Data: <&#224;J*&#164;&#147;           > E0 4A 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000193A42A4AE0, 40 bytes long.
 Data: <&#160;`*&#164;&#147;    T&#248;&#165;&#147;   > A0 60 2A A4 93 01 00 00 00 54 F8 A5 93 01 00 00 
{263} normal block at 0x00000193A42A56A0, 16 bytes long.
 Data: <&#160;b*&#164;&#147;           > A0 62 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000193A42A5290, 16 bytes long.
 Data: <xb*&#164;&#147;           > 78 62 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000193A42A00B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000193A42A5470, 16 bytes long.
 Data: <Pb*&#164;&#147;           > 50 62 2A A4 93 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000193A42A6250, 992 bytes long.
 Data: <pT*&#164;&#147;   &#176; *&#164;&#147;   > 70 54 2A A4 93 01 00 00 B0 00 2A A4 93 01 00 00 
{95} normal block at 0x00000193A42A0470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000193A429EBA0, 16 bytes long.
 Data: <0&#229;(&#164;&#147;           > 30 E5 28 A4 93 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000193A428E530, 40 bytes long.
 Data: <&#160;&#235;)&#164;&#147;   p *&#164;&#147;   > A0 EB 29 A4 93 01 00 00 70 04 2A A4 93 01 00 00 
{72} normal block at 0x00000193A429F2D0, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000193A429F640, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000193A429EC90, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000193A429E7E0, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000193A429F5F0, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000193A429F050, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000193A429F1E0, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000193A429E970, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000193A429F4B0, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000193A429EA60, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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