Task 38682588

Name test_785-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7546_0
Workunit 31624192
Created 27 Oct 2026, 8:19:26 UTC
Sent 27 Oct 2026, 8:19:27 UTC
Report deadline 1 Nov 2026, 8:19:27 UTC
Received 27 Oct 2026, 10:28:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 43 min 18 sec
CPU time 42 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.88 MB
Peak swap size 9.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:45:52 (39532): wrapper (7.9.26016): starting
10:45:52 (39532): 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
10:45:53 (39532): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:45:53 (39532): 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 'D:\ProgramData\BOINC\slots\12\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 'D:\ProgramData\BOINC\slots\12\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
11:27:52 (39532): C:/Windows/system32/cmd.exe exited; CPU time 2521.187500
11:27:52 (39532): 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: 45260827 bytes.
Dumping objects ->
{3835207} normal block at 0x000001FE4D194AF0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001FE4D194A80, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001FE4D194A10, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x000001FE4D194930, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001FE4D194850, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x000001FE4F037AA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x000001FE4F04DFD0, 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) : {3835118} normal block at 0x000001FE4D18E210, 8 bytes long.
 Data: <  fM&#254;   > 00 00 66 4D FE 01 00 00 
{3834522} normal block at 0x000001FE4F04DDC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001FE4D18E990, 8 bytes long.
 Data: <&#176;&#214; M&#254;   > B0 D6 17 4D FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FE4D190190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FE4D1855F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001FE4D195CE0, 16 bytes long.
 Data: < a M&#254;           > 18 61 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FE4D195AB0, 16 bytes long.
 Data: <&#240;` M&#254;           > F0 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FE4D18F460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001FE4D195880, 16 bytes long.
 Data: <&#200;` M&#254;           > C8 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FE4D1951F0, 16 bytes long.
 Data: <&#160;` M&#254;           > A0 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FE4D195560, 16 bytes long.
 Data: <x` M&#254;           > 78 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FE4D195740, 16 bytes long.
 Data: <P` M&#254;           > 50 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FE4D194770, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001FE4D1956F0, 16 bytes long.
 Data: <&#200;&#253; M&#254;           > C8 FD 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FE4D18F220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001FE4D1956A0, 16 bytes long.
 Data: <&#160;&#253; M&#254;           > A0 FD 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FE4D195650, 16 bytes long.
 Data: <x&#253; M&#254;           > 78 FD 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FE4D194FC0, 16 bytes long.
 Data: <P&#253; M&#254;           > 50 FD 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FE4D194E80, 16 bytes long.
 Data: <(&#253; M&#254;           > 28 FD 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FE4D1952E0, 16 bytes long.
 Data: < &#253; M&#254;           > 00 FD 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FE4D194E30, 16 bytes long.
 Data: <&#216;&#252; M&#254;           > D8 FC 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FE4D18F1C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001FE4D195A10, 16 bytes long.
 Data: <&#176;&#252; M&#254;           > B0 FC 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FE4D17FCB0, 320 bytes long.
 Data: < Z M&#254;   &#192;&#241; M&#254;   > 10 5A 19 4D FE 01 00 00 C0 F1 18 4D FE 01 00 00 
{269} normal block at 0x000001FE4D195380, 16 bytes long.
 Data: <0` M&#254;           > 30 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FE4D195600, 16 bytes long.
 Data: < ` M&#254;           > 08 60 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FE4D18F400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001FE4D195970, 16 bytes long.
 Data: <&#224;_ M&#254;           > E0 5F 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FE4D18F700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001FE4D195A60, 16 bytes long.
 Data: <(_ M&#254;           > 28 5F 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FE4D1953D0, 16 bytes long.
 Data: < _ M&#254;           > 00 5F 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FE4D195060, 16 bytes long.
 Data: <&#216;^ M&#254;           > D8 5E 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FE4D195420, 16 bytes long.
 Data: <&#176;^ M&#254;           > B0 5E 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FE4D195920, 16 bytes long.
 Data: < ^ M&#254;           > 88 5E 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FE4D195B00, 16 bytes long.
 Data: <`^ M&#254;           > 60 5E 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FE4D195240, 16 bytes long.
 Data: <@L M&#254;           > 40 4C 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FE4D194C40, 40 bytes long.
 Data: <@R M&#254;   &#160;z O&#254;   > 40 52 19 4D FE 01 00 00 A0 7A 03 4F FE 01 00 00 
{255} normal block at 0x000001FE4D1959C0, 16 bytes long.
 Data: <@^ M&#254;           > 40 5E 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FE4D195290, 16 bytes long.
 Data: < ^ M&#254;           > 18 5E 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FE4D18FAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001FE4D195D80, 16 bytes long.
 Data: <&#240;] M&#254;           > F0 5D 19 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FE4D195DF0, 992 bytes long.
 Data: < ] M&#254;   &#192;&#250; M&#254;   > 80 5D 19 4D FE 01 00 00 C0 FA 18 4D FE 01 00 00 
{87} normal block at 0x000001FE4D18FA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001FE4D18EDF0, 16 bytes long.
 Data: < &#198; M&#254;           > 20 C6 17 4D FE 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001FE4D17C620, 40 bytes long.
 Data: <&#240;&#237; M&#254;   `&#250; M&#254;   > F0 ED 18 4D FE 01 00 00 60 FA 18 4D FE 01 00 00 
{64} normal block at 0x000001FE4D18E670, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FE4D18EF80, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FE4D18E5D0, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FE4D18EDA0, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FE4D18E2B0, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FE4D18E300, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FE4D18E9E0, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FE4D18ED00, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FE4D18E6C0, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FE4D18E800, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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