Task 38661055

Name test_326-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9565_1
Workunit 31604340
Created 24 Oct 2026, 15:08:21 UTC
Sent 24 Oct 2026, 15:15:27 UTC
Report deadline 29 Oct 2026, 15:15:27 UTC
Received 24 Oct 2026, 16:33:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648742
Run time 24 min 27 sec
CPU time 22 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 772.24 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:06:56 (20608): wrapper (7.9.26016): starting
18:06:56 (20608): 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
18:06:58 (20608): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:06:58 (20608): 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\2\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\2\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
18:30:35 (20608): C:/Windows/system32/cmd.exe exited; CPU time 1329.734375
18:30:35 (20608): 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: 22801807 bytes.
Dumping objects ->
{3835449} normal block at 0x00000196CA734870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x00000196CA734800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000196CA734790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x00000196CA7349C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x00000196CA7348E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x00000196CC469EC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x00000196CC47E2D0, 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) : {3835360} normal block at 0x00000196CA72ED50, 8 bytes long.
 Data: <  &#205;&#202;&#150;   > 00 00 CD CA 96 01 00 00 
{3834646} normal block at 0x00000196CC47EE80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000196CA72E170, 8 bytes long.
 Data: <p&#241;>&#204;&#150;   > 70 F1 3E CC 96 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000196CA7306A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000196CA71E180, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000196CA7362A0, 16 bytes long.
 Data: < fs&#202;&#150;           > 88 66 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000196CA7362F0, 16 bytes long.
 Data: <`fs&#202;&#150;           > 60 66 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000196CA72FF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000196CA735B70, 16 bytes long.
 Data: <8fs&#202;&#150;           > 38 66 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000196CA735D00, 16 bytes long.
 Data: < fs&#202;&#150;           > 10 66 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000196CA735800, 16 bytes long.
 Data: <&#232;es&#202;&#150;           > E8 65 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000196CA735B20, 16 bytes long.
 Data: <&#192;es&#202;&#150;           > C0 65 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000196CA734C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000196CA735AD0, 16 bytes long.
 Data: <h&#133;r&#202;&#150;           > 68 85 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000196CA72F710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000196CA736250, 16 bytes long.
 Data: <@&#133;r&#202;&#150;           > 40 85 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000196CA735A80, 16 bytes long.
 Data: < &#133;r&#202;&#150;           > 18 85 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000196CA736160, 16 bytes long.
 Data: <&#240;&#132;r&#202;&#150;           > F0 84 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000196CA7354E0, 16 bytes long.
 Data: <&#200;&#132;r&#202;&#150;           > C8 84 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000196CA735BC0, 16 bytes long.
 Data: <&#160;&#132;r&#202;&#150;           > A0 84 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000196CA735A30, 16 bytes long.
 Data: <x&#132;r&#202;&#150;           > 78 84 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000196CA72F6B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000196CA736200, 16 bytes long.
 Data: <P&#132;r&#202;&#150;           > 50 84 72 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000196CA728450, 320 bytes long.
 Data: < bs&#202;&#150;   &#176;&#246;r&#202;&#150;   > 00 62 73 CA 96 01 00 00 B0 F6 72 CA 96 01 00 00 
{274} normal block at 0x00000196CA735E90, 16 bytes long.
 Data: <&#160;es&#202;&#150;           > A0 65 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000196CA7353F0, 16 bytes long.
 Data: <xes&#202;&#150;           > 78 65 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000196CA72FE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000196CA7353A0, 16 bytes long.
 Data: <Pes&#202;&#150;           > 50 65 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000196CA72F7D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000196CA7359E0, 16 bytes long.
 Data: < ds&#202;&#150;           > 98 64 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000196CA7356C0, 16 bytes long.
 Data: <pds&#202;&#150;           > 70 64 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000196CA735440, 16 bytes long.
 Data: <Hds&#202;&#150;           > 48 64 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000196CA735990, 16 bytes long.
 Data: < ds&#202;&#150;           > 20 64 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000196CA736110, 16 bytes long.
 Data: <&#248;cs&#202;&#150;           > F8 63 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000196CA735DF0, 16 bytes long.
 Data: <&#208;cs&#202;&#150;           > D0 63 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000196CA735490, 16 bytes long.
 Data: <&#160;Js&#202;&#150;           > A0 4A 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000196CA734AA0, 40 bytes long.
 Data: < Ts&#202;&#150;   &#192;&#158;F&#204;&#150;   > 90 54 73 CA 96 01 00 00 C0 9E 46 CC 96 01 00 00 
{260} normal block at 0x00000196CA735940, 16 bytes long.
 Data: <&#176;cs&#202;&#150;           > B0 63 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000196CA735DA0, 16 bytes long.
 Data: < cs&#202;&#150;           > 88 63 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000196CA72FE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000196CA735530, 16 bytes long.
 Data: <`cs&#202;&#150;           > 60 63 73 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000196CA736360, 992 bytes long.
 Data: <0Us&#202;&#150;   0&#254;r&#202;&#150;   > 30 55 73 CA 96 01 00 00 30 FE 72 CA 96 01 00 00 
{92} normal block at 0x00000196CA72F0B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000196CA72E670, 16 bytes long.
 Data: < &#202;q&#202;&#150;           > 00 CA 71 CA 96 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000196CA71CA00, 40 bytes long.
 Data: <p&#230;r&#202;&#150;   &#176;&#240;r&#202;&#150;   > 70 E6 72 CA 96 01 00 00 B0 F0 72 CA 96 01 00 00 
{69} normal block at 0x00000196CA72EA80, 16 bytes long.
 Data: < &#234;&#204;)&#247;           > 80 EA CC 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000196CA72EC10, 16 bytes long.
 Data: <@&#233;&#204;)&#247;           > 40 E9 CC 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000196CA72ECB0, 16 bytes long.
 Data: <&#248;W&#201;)&#247;           > F8 57 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000196CA72EC60, 16 bytes long.
 Data: <&#216;W&#201;)&#247;           > D8 57 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000196CA72E620, 16 bytes long.
 Data: <P &#201;)&#247;           > 50 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000196CA72E030, 16 bytes long.
 Data: <0 &#201;)&#247;           > 30 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000196CA72EF30, 16 bytes long.
 Data: <&#224; &#201;)&#247;           > E0 02 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000196CA72EB20, 16 bytes long.
 Data: <  &#201;)&#247;           > 10 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000196CA72E4E0, 16 bytes long.
 Data: <p &#201;)&#247;           > 70 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000196CA72EDF0, 16 bytes long.
 Data: < &#192;&#199;)&#247;           > 18 C0 C7 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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