Task 38684012

Name test_207-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4008_0
Workunit 31625542
Created 27 Oct 2026, 14:20:38 UTC
Sent 27 Oct 2026, 14:20:44 UTC
Report deadline 1 Nov 2026, 14:20:44 UTC
Received 27 Oct 2026, 16:06:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602451
Run time 1 hours 44 min 14 sec
CPU time 1 hours 39 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,200.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.05 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:21:41 (13188): wrapper (7.9.26016): starting
15:21:41 (13188): 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
15:21:42 (13188): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:21:42 (13188): 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
17:05:45 (13188): C:/Windows/system32/cmd.exe exited; CPU time 5975.015625
17:05:45 (13188): 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: 100425911 bytes.
Dumping objects ->
{3835513} normal block at 0x000002A3B9C652B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002A3B9C65240, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x000002A3B9C65160, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835480} normal block at 0x000002A3B9C65010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000002A3B9C64FA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835438} normal block at 0x000002A3BB908840, 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) : {3835425} normal block at 0x000002A3B9C5ECE0, 8 bytes long.
 Data: <  	&#186;&#163;   > 00 00 09 BA A3 02 00 00 
{3833967} normal block at 0x000002A3B9C5F0F0, 8 bytes long.
 Data: < J&#150;&#187;&#163;   > 20 4A 96 BB A3 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002A3B9C61570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002A3B9C56100, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002A3B9C660D0, 16 bytes long.
 Data: < g&#198;&#185;&#163;           > 88 67 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A3B9C654F0, 16 bytes long.
 Data: <`g&#198;&#185;&#163;           > 60 67 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A3B9C5FE20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002A3B9C65540, 16 bytes long.
 Data: <8g&#198;&#185;&#163;           > 38 67 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A3B9C65590, 16 bytes long.
 Data: < g&#198;&#185;&#163;           > 10 67 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A3B9C65C20, 16 bytes long.
 Data: <&#232;f&#198;&#185;&#163;           > E8 66 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A3B9C65B80, 16 bytes long.
 Data: <&#192;f&#198;&#185;&#163;           > C0 66 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A3B9C65080, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002A3B9C654A0, 16 bytes long.
 Data: <X&#182;&#196;&#185;&#163;           > 58 B6 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A3B9C5FB20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002A3B9C65B30, 16 bytes long.
 Data: <0&#182;&#196;&#185;&#163;           > 30 B6 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A3B9C663F0, 16 bytes long.
 Data: < &#182;&#196;&#185;&#163;           > 08 B6 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A3B9C65A90, 16 bytes long.
 Data: <&#224;&#181;&#196;&#185;&#163;           > E0 B5 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A3B9C66030, 16 bytes long.
 Data: <&#184;&#181;&#196;&#185;&#163;           > B8 B5 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A3B9C65A40, 16 bytes long.
 Data: < &#181;&#196;&#185;&#163;           > 90 B5 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A3B9C65F90, 16 bytes long.
 Data: <h&#181;&#196;&#185;&#163;           > 68 B5 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A3B9C603C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002A3B9C65EF0, 16 bytes long.
 Data: <@&#181;&#196;&#185;&#163;           > 40 B5 C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A3B9C4B540, 320 bytes long.
 Data: <&#240;^&#198;&#185;&#163;   &#192; &#198;&#185;&#163;   > F0 5E C6 B9 A3 02 00 00 C0 03 C6 B9 A3 02 00 00 
{279} normal block at 0x000002A3B9C65950, 16 bytes long.
 Data: <&#160;f&#198;&#185;&#163;           > A0 66 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A3B9C65E50, 16 bytes long.
 Data: <xf&#198;&#185;&#163;           > 78 66 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A3B9C60600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002A3B9C65EA0, 16 bytes long.
 Data: <Pf&#198;&#185;&#163;           > 50 66 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A3B9C5FD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002A3B9C65770, 16 bytes long.
 Data: < e&#198;&#185;&#163;           > 98 65 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A3B9C663A0, 16 bytes long.
 Data: <pe&#198;&#185;&#163;           > 70 65 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A3B9C66260, 16 bytes long.
 Data: <He&#198;&#185;&#163;           > 48 65 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A3B9C662B0, 16 bytes long.
 Data: < e&#198;&#185;&#163;           > 20 65 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A3B9C65E00, 16 bytes long.
 Data: <&#248;d&#198;&#185;&#163;           > F8 64 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A3B9C65DB0, 16 bytes long.
 Data: <&#208;d&#198;&#185;&#163;           > D0 64 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A3B9C65D60, 16 bytes long.
 Data: < M&#198;&#185;&#163;           > 00 4D C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A3B9C64D00, 40 bytes long.
 Data: <`]&#198;&#185;&#163;   @  &#187;&#163;   > 60 5D C6 B9 A3 02 00 00 40 88 90 BB A3 02 00 00 
{265} normal block at 0x000002A3B9C656D0, 16 bytes long.
 Data: <&#176;d&#198;&#185;&#163;           > B0 64 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A3B9C66080, 16 bytes long.
 Data: < d&#198;&#185;&#163;           > 88 64 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A3B9C5F940, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002A3B9C65D10, 16 bytes long.
 Data: <`d&#198;&#185;&#163;           > 60 64 C6 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A3B9C66460, 992 bytes long.
 Data: < ]&#198;&#185;&#163;   @&#249;&#197;&#185;&#163;   > 10 5D C6 B9 A3 02 00 00 40 F9 C5 B9 A3 02 00 00 
{97} normal block at 0x000002A3B9C60120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002A3B9C5EB00, 16 bytes long.
 Data: < &#239;&#196;&#185;&#163;           > 90 EF C4 B9 A3 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002A3B9C4EF90, 40 bytes long.
 Data: < &#235;&#197;&#185;&#163;     &#198;&#185;&#163;   > 00 EB C5 B9 A3 02 00 00 20 01 C6 B9 A3 02 00 00 
{74} normal block at 0x000002A3B9C5EFB0, 16 bytes long.
 Data: < &#234;&#206;]&#247;           > 80 EA CE 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002A3B9C5EF60, 16 bytes long.
 Data: <@&#233;&#206;]&#247;           > 40 E9 CE 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002A3B9C5F7D0, 16 bytes long.
 Data: <&#248;W&#203;]&#247;           > F8 57 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A3B9C5EAB0, 16 bytes long.
 Data: <&#216;W&#203;]&#247;           > D8 57 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A3B9C5F280, 16 bytes long.
 Data: <P &#203;]&#247;           > 50 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A3B9C5F690, 16 bytes long.
 Data: <0 &#203;]&#247;           > 30 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A3B9C5F0A0, 16 bytes long.
 Data: <&#224; &#203;]&#247;           > E0 02 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A3B9C5EC40, 16 bytes long.
 Data: <  &#203;]&#247;           > 10 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A3B9C5E970, 16 bytes long.
 Data: <p &#203;]&#247;           > 70 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A3B9C5E920, 16 bytes long.
 Data: < &#192;&#201;]&#247;           > 18 C0 C9 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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