Task 38689063

Name test_866-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7219_0
Workunit 31630341
Created 28 Oct 2026, 18:04:14 UTC
Sent 28 Oct 2026, 18:04:20 UTC
Report deadline 2 Nov 2026, 18:04:20 UTC
Received 28 Oct 2026, 19:43:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 32 min 44 sec
CPU time 22 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.31 MB
Peak swap size 13.14 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:10:15 (11128): wrapper (7.9.26016): starting
12:10:15 (11128): 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
12:10:19 (11128): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:10:19 (11128): 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\4\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\4\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
12:42:14 (11128): C:/Windows/system32/cmd.exe exited; CPU time 1357.343750
12:42:14 (11128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 29575999 bytes.
Dumping objects ->
{3835240} normal block at 0x000001F789AE4D00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001F789AE4BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001F789AE4C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000001F789AE5010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001F789AE4C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001F78B786B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001F78B6B0730, 155 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) : {3835151} normal block at 0x000001F789ADF100, 8 bytes long.
 Data: <  &#167;&#137;&#247;   > 00 00 A7 89 F7 01 00 00 
{3834548} normal block at 0x000001F78B6B0E30, 155 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 0x000001F789ADEFC0, 8 bytes long.
 Data: <&#160;&#180;&#176;&#137;&#247;   > A0 B4 B0 89 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F789AE0B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F789AD6C10, 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 0x000001F789AE6580, 16 bytes long.
 Data: <&#184;i&#174;&#137;&#247;           > B8 69 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F789AE6530, 16 bytes long.
 Data: < i&#174;&#137;&#247;           > 90 69 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F789AE02E0, 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 0x000001F789AE5AE0, 16 bytes long.
 Data: <hi&#174;&#137;&#247;           > 68 69 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F789AE57C0, 16 bytes long.
 Data: <@i&#174;&#137;&#247;           > 40 69 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F789AE64E0, 16 bytes long.
 Data: < i&#174;&#137;&#247;           > 18 69 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F789AE5770, 16 bytes long.
 Data: <&#240;h&#174;&#137;&#247;           > F0 68 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F789AE4AD0, 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 0x000001F789AE61C0, 16 bytes long.
 Data: <&#248;&#181;&#172;&#137;&#247;           > F8 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F789ADFDA0, 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 0x000001F789AE6490, 16 bytes long.
 Data: <&#208;&#181;&#172;&#137;&#247;           > D0 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F789AE6170, 16 bytes long.
 Data: <&#168;&#181;&#172;&#137;&#247;           > A8 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F789AE6440, 16 bytes long.
 Data: < &#181;&#172;&#137;&#247;           > 80 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F789AE5E50, 16 bytes long.
 Data: <X&#181;&#172;&#137;&#247;           > 58 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F789AE5D60, 16 bytes long.
 Data: <0&#181;&#172;&#137;&#247;           > 30 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F789AE5FE0, 16 bytes long.
 Data: < &#181;&#172;&#137;&#247;           > 08 B5 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F789AE0040, 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 0x000001F789AE5900, 16 bytes long.
 Data: <&#224;&#180;&#172;&#137;&#247;           > E0 B4 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F789ACB4E0, 320 bytes long.
 Data: < Y&#174;&#137;&#247;   @ &#174;&#137;&#247;   > 00 59 AE 89 F7 01 00 00 40 00 AE 89 F7 01 00 00 
{274} normal block at 0x000001F789AE5950, 16 bytes long.
 Data: <&#208;h&#174;&#137;&#247;           > D0 68 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F789AE5720, 16 bytes long.
 Data: <&#168;h&#174;&#137;&#247;           > A8 68 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F789AE0400, 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 0x000001F789AE5A90, 16 bytes long.
 Data: < h&#174;&#137;&#247;           > 80 68 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F789AE0100, 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 0x000001F789AE6260, 16 bytes long.
 Data: <&#200;g&#174;&#137;&#247;           > C8 67 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F789AE56D0, 16 bytes long.
 Data: <&#160;g&#174;&#137;&#247;           > A0 67 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F789AE6120, 16 bytes long.
 Data: <xg&#174;&#137;&#247;           > 78 67 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F789AE5F90, 16 bytes long.
 Data: <Pg&#174;&#137;&#247;           > 50 67 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F789AE6210, 16 bytes long.
 Data: <(g&#174;&#137;&#247;           > 28 67 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F789AE60D0, 16 bytes long.
 Data: < g&#174;&#137;&#247;           > 00 67 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F789AE6300, 16 bytes long.
 Data: <&#192;N&#174;&#137;&#247;           > C0 4E AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F789AE4EC0, 40 bytes long.
 Data: < c&#174;&#137;&#247;    kx&#139;&#247;   > 00 63 AE 89 F7 01 00 00 80 6B 78 8B F7 01 00 00 
{260} normal block at 0x000001F789AE5A40, 16 bytes long.
 Data: <&#224;f&#174;&#137;&#247;           > E0 66 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F789AE63F0, 16 bytes long.
 Data: <&#184;f&#174;&#137;&#247;           > B8 66 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F789AE01C0, 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 0x000001F789AE6620, 16 bytes long.
 Data: < f&#174;&#137;&#247;           > 90 66 AE 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F789AE6690, 992 bytes long.
 Data: < f&#174;&#137;&#247;   &#192; &#174;&#137;&#247;   > 20 66 AE 89 F7 01 00 00 C0 01 AE 89 F7 01 00 00 
{92} normal block at 0x000001F789ADFAA0, 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 0x000001F789ADE9D0, 16 bytes long.
 Data: <&#192;&#199;&#172;&#137;&#247;           > C0 C7 AC 89 F7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F789ACC7C0, 40 bytes long.
 Data: <&#208;&#233;&#173;&#137;&#247;   &#160;&#250;&#173;&#137;&#247;   > D0 E9 AD 89 F7 01 00 00 A0 FA AD 89 F7 01 00 00 
{69} normal block at 0x000001F789ADEDE0, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F789ADF6A0, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F789ADF5B0, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F789ADF6F0, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F789ADF290, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F789ADF830, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F789ADED40, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F789ADF560, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F789ADF240, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F789ADEBB0, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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