Task 38685709

Name test_681-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5758_0
Workunit 31627169
Created 27 Oct 2026, 22:30:02 UTC
Sent 27 Oct 2026, 22:30:04 UTC
Report deadline 1 Nov 2026, 22:30:04 UTC
Received 27 Oct 2026, 23:27:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642945
Run time 43 min 52 sec
CPU time 40 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.92 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:43:58 (55324): wrapper (7.9.26016): starting
07:43:58 (55324): 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
07:43:59 (55324): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:43:59 (55324): 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\14\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\14\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
08:26:51 (55324): C:/Windows/system32/cmd.exe exited; CPU time 2443.171875
08:26:51 (55324): 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: 64250595 bytes.
Dumping objects ->
{3835363} normal block at 0x0000023B35659EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x0000023B35659B30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x0000023B35659F90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x0000023B3565A380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x0000023B3565A000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x0000023B376BAA00, 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) : {3835275} normal block at 0x0000023B3562E760, 8 bytes long.
 Data: <  &#172;5;   > 00 00 AC 35 3B 02 00 00 
{3834073} normal block at 0x0000023B3562DCC0, 8 bytes long.
 Data: <&#208;Zc5;   > D0 5A 63 35 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023B35632190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023B35626790, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000023B35636760, 16 bytes long.
 Data: <&#184;sc5;           > B8 73 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023B35636210, 16 bytes long.
 Data: < sc5;           > 90 73 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023B3562FEE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000023B35636F30, 16 bytes long.
 Data: <hsc5;           > 68 73 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023B35636490, 16 bytes long.
 Data: <@sc5;           > 40 73 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023B356363A0, 16 bytes long.
 Data: < sc5;           > 18 73 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B35636E40, 16 bytes long.
 Data: < rc5;           > F0 72 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023B35634500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000023B356365D0, 16 bytes long.
 Data: <  b5;           > E8 98 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B3562FB80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000023B35636B20, 16 bytes long.
 Data: <&#192; b5;           > C0 98 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023B35636D00, 16 bytes long.
 Data: <  b5;           > 98 98 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023B35636440, 16 bytes long.
 Data: <p b5;           > 70 98 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B35636580, 16 bytes long.
 Data: <H b5;           > 48 98 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023B35636C60, 16 bytes long.
 Data: <  b5;           > 20 98 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B35636EE0, 16 bytes long.
 Data: <  b5;           > F8 97 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B35630780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000023B35636AD0, 16 bytes long.
 Data: <&#208; b5;           > D0 97 62 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B356297D0, 320 bytes long.
 Data: <&#208;jc5;     c5;   > D0 6A 63 35 3B 02 00 00 80 07 63 35 3B 02 00 00 
{280} normal block at 0x0000023B35636A80, 16 bytes long.
 Data: <&#208;rc5;           > D0 72 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B35636DA0, 16 bytes long.
 Data: <&#168;rc5;           > A8 72 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023B356306C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000023B35637020, 16 bytes long.
 Data: < rc5;           > 80 72 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B3562FB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000023B35636CB0, 16 bytes long.
 Data: <&#200;qc5;           > C8 71 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B35636C10, 16 bytes long.
 Data: < qc5;           > A0 71 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023B35636DF0, 16 bytes long.
 Data: <xqc5;           > 78 71 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B35636E90, 16 bytes long.
 Data: <Pqc5;           > 50 71 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B356361C0, 16 bytes long.
 Data: <(qc5;           > 28 71 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B356360D0, 16 bytes long.
 Data: < qc5;           > 00 71 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B35636D50, 16 bytes long.
 Data: <&#208;Ic5;           > D0 49 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B356349D0, 40 bytes long.
 Data: <Pmc5;    &#170;k7;   > 50 6D 63 35 3B 02 00 00 00 AA 6B 37 3B 02 00 00 
{266} normal block at 0x0000023B35636350, 16 bytes long.
 Data: < pc5;           > E0 70 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B35636300, 16 bytes long.
 Data: <&#184;pc5;           > B8 70 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023B35630060, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000023B356367B0, 16 bytes long.
 Data: < pc5;           > 90 70 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B35637090, 992 bytes long.
 Data: <&#176;gc5;   ` c5;   > B0 67 63 35 3B 02 00 00 60 00 63 35 3B 02 00 00 
{98} normal block at 0x0000023B35630540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000023B3562E120, 16 bytes long.
 Data: < Hc5;           > F0 48 63 35 3B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000023B356348F0, 40 bytes long.
 Data: <  b5;   @ c5;   > 20 E1 62 35 3B 02 00 00 40 05 63 35 3B 02 00 00 
{73} normal block at 0x0000023B3562DEA0, 16 bytes long.
 Data: <  b&#185;            > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023B3562DEF0, 16 bytes long.
 Data: <@ b&#185;            > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023B3562DC70, 16 bytes long.
 Data: < W_&#185;            > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023B3562E350, 16 bytes long.
 Data: <&#216;W_&#185;            > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B3562E710, 16 bytes long.
 Data: <P _&#185;            > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B3562E670, 16 bytes long.
 Data: <0 _&#185;            > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B3562DD60, 16 bytes long.
 Data: <  _&#185;            > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B3562DE50, 16 bytes long.
 Data: <  _&#185;            > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023B3562E620, 16 bytes long.
 Data: <p _&#185;            > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023B3562E7B0, 16 bytes long.
 Data: < &#192;]&#185;            > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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