Task 38680705

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2094_0
Workunit 31622413
Created 27 Oct 2026, 0:55:35 UTC
Sent 27 Oct 2026, 0:55:41 UTC
Report deadline 1 Nov 2026, 0:55:41 UTC
Received 27 Oct 2026, 2:28:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 28 min 59 sec
CPU time 27 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.94 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:59:29 (40920): wrapper (7.9.26016): starting
10:59:29 (40920): 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
10:59:30 (40920): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:59:30 (40920): 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\1\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\1\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
11:27:44 (40920): C:/Windows/system32/cmd.exe exited; CPU time 1631.406250
11:27:44 (40920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 39011977 bytes.
Dumping objects ->
{3835380} normal block at 0x000002A5558A1430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000002A5558A1270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000002A5558A1350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000002A5558A1190, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000002A5558A0DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000002A55922BE60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835292} normal block at 0x000002A55589D390, 8 bytes long.
 Data: <  &#214;U&#165;   > 00 00 D6 55 A5 02 00 00 
{3834077} normal block at 0x000002A55589D700, 8 bytes long.
 Data: <   U&#165;   > F0 EA 89 55 A5 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002A55588EB20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002A555886D40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002A55589D7A0, 16 bytes long.
 Data: <H&#210; U&#165;           > 48 D2 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002A55589D430, 16 bytes long.
 Data: < &#210; U&#165;           > 20 D2 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002A5558963C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002A55589E2E0, 16 bytes long.
 Data: < &#209; U&#165;           > F8 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A55589D750, 16 bytes long.
 Data: <&#208;&#209; U&#165;           > D0 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A55589A080, 16 bytes long.
 Data: <&#168;&#209; U&#165;           > A8 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A55589A030, 16 bytes long.
 Data: < &#209; U&#165;           > 80 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A555897E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002A555899B80, 16 bytes long.
 Data: < &#201; U&#165;           > 88 C9 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A5558961E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002A555899810, 16 bytes long.
 Data: <`&#201; U&#165;           > 60 C9 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A555899B30, 16 bytes long.
 Data: <8&#201; U&#165;           > 38 C9 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A555899C70, 16 bytes long.
 Data: < &#201; U&#165;           > 10 C9 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A5558994F0, 16 bytes long.
 Data: < &#200; U&#165;           > E8 C8 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A5558994A0, 16 bytes long.
 Data: <&#192;&#200; U&#165;           > C0 C8 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A5558992C0, 16 bytes long.
 Data: < &#200; U&#165;           > 98 C8 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A555895E20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002A555899900, 16 bytes long.
 Data: <p&#200; U&#165;           > 70 C8 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A55589C870, 320 bytes long.
 Data: <   U&#165;    ^ U&#165;   > 00 99 89 55 A5 02 00 00 20 5E 89 55 A5 02 00 00 
{281} normal block at 0x000002A555899EF0, 16 bytes long.
 Data: <`&#209; U&#165;           > 60 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A555899AE0, 16 bytes long.
 Data: <8&#209; U&#165;           > 38 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A555895640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002A55589A0D0, 16 bytes long.
 Data: < &#209; U&#165;           > 10 D1 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A555896180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002A555899F90, 16 bytes long.
 Data: <X&#208; U&#165;           > 58 D0 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A555899860, 16 bytes long.
 Data: <0&#208; U&#165;           > 30 D0 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A555899FE0, 16 bytes long.
 Data: < &#208; U&#165;           > 08 D0 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A555899EA0, 16 bytes long.
 Data: < &#207; U&#165;           > E0 CF 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A5558995E0, 16 bytes long.
 Data: <&#184;&#207; U&#165;           > B8 CF 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A555899BD0, 16 bytes long.
 Data: < &#207; U&#165;           > 90 CF 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A555899CC0, 16 bytes long.
 Data: < { U&#165;           > 20 7B 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A555897B20, 40 bytes long.
 Data: <&#192;  U&#165;   `&#190;"Y&#165;   > C0 9C 89 55 A5 02 00 00 60 BE 22 59 A5 02 00 00 
{267} normal block at 0x000002A555899360, 16 bytes long.
 Data: <p&#207; U&#165;           > 70 CF 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A5558999F0, 16 bytes long.
 Data: <H&#207; U&#165;           > 48 CF 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A555896120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002A555899400, 16 bytes long.
 Data: < &#207; U&#165;           > 20 CF 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A55589CF20, 992 bytes long.
 Data: <   U&#165;    a U&#165;   > 00 94 89 55 A5 02 00 00 20 61 89 55 A5 02 00 00 
{99} normal block at 0x000002A555895B80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002A555899E00, 16 bytes long.
 Data: <&#176;z U&#165;           > B0 7A 89 55 A5 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002A555897AB0, 40 bytes long.
 Data: <   U&#165;    [ U&#165;   > 00 9E 89 55 A5 02 00 00 80 5B 89 55 A5 02 00 00 
{74} normal block at 0x000002A555899D10, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002A555899270, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002A555899220, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A555899A90, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A5558993B0, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A555899D60, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A55588B9C0, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A55588B560, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A55588B4C0, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A55588B3D0, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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