Task 38666707

Name test_1262-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND1297_0
Workunit 31609509
Created 25 Oct 2026, 4:26:32 UTC
Sent 25 Oct 2026, 4:47:10 UTC
Report deadline 30 Oct 2026, 4:47:10 UTC
Received 25 Oct 2026, 6:17:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 20 min 16 sec
CPU time 20 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.77 MB
Peak swap size 5.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:53:07 (37908): wrapper (7.9.26016): starting
06:53:07 (37908): 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
06:53:08 (37908): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:53:08 (37908): 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
07:16:29 (37908): C:/Windows/system32/cmd.exe exited; CPU time 1216.578125
07:16:29 (37908): 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: 30888139 bytes.
Dumping objects ->
{3835256} normal block at 0x00000175162F7C80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000017514524650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x00000175145245E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000017514524570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000017514524500, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000017516309FF0, 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) : {3835168} normal block at 0x000001751451FBD0, 8 bytes long.
 Data: <  &#164; u   > 00 00 A4 14 75 01 00 00 
{3833957} normal block at 0x000001751451F9A0, 8 bytes long.
 Data: <&#208;F6 u   > D0 46 36 16 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000017514516120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017514516F90, 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 0x0000017514525580, 16 bytes long.
 Data: <&#200;dR u           > C8 64 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017514525C60, 16 bytes long.
 Data: <&#160;dR u           > A0 64 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175145207A0, 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 0x0000017514525A30, 16 bytes long.
 Data: <xdR u           > 78 64 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017514525170, 16 bytes long.
 Data: <PdR u           > 50 64 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017514525E90, 16 bytes long.
 Data: <(dR u           > 28 64 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017514525E40, 16 bytes long.
 Data: < dR u           > 00 64 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017514524730, 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 0x0000017514525440, 16 bytes long.
 Data: <&#168;&#158;Q u           > A8 9E 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017514521160, 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 0x0000017514525C10, 16 bytes long.
 Data: < &#158;Q u           > 80 9E 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000175145256C0, 16 bytes long.
 Data: <X&#158;Q u           > 58 9E 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017514525B70, 16 bytes long.
 Data: <0&#158;Q u           > 30 9E 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017514525120, 16 bytes long.
 Data: < &#158;Q u           > 08 9E 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017514525080, 16 bytes long.
 Data: <&#224; Q u           > E0 9D 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017514525F30, 16 bytes long.
 Data: <&#184; Q u           > B8 9D 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000175145205C0, 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 0x0000017514525D00, 16 bytes long.
 Data: <  Q u           > 90 9D 51 14 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017514519D90, 320 bytes long.
 Data: < ]R u   &#192; R u   > 00 5D 52 14 75 01 00 00 C0 05 52 14 75 01 00 00 
{274} normal block at 0x0000017514525EE0, 16 bytes long.
 Data: <&#224;cR u           > E0 63 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017514525B20, 16 bytes long.
 Data: <&#184;cR u           > B8 63 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017514520860, 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 0x00000175145259E0, 16 bytes long.
 Data: < cR u           > 90 63 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017514520FE0, 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 0x0000017514525800, 16 bytes long.
 Data: <&#216;bR u           > D8 62 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017514525A80, 16 bytes long.
 Data: <&#176;bR u           > B0 62 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017514525350, 16 bytes long.
 Data: < bR u           > 88 62 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017514525F80, 16 bytes long.
 Data: <`bR u           > 60 62 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000175145250D0, 16 bytes long.
 Data: <8bR u           > 38 62 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017514525AD0, 16 bytes long.
 Data: < bR u           > 10 62 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017514525DF0, 16 bytes long.
 Data: <&#160;GR u           > A0 47 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000175145247A0, 40 bytes long.
 Data: <&#240;]R u   &#240;&#159;0 u   > F0 5D 52 14 75 01 00 00 F0 9F 30 16 75 01 00 00 
{260} normal block at 0x0000017514525530, 16 bytes long.
 Data: <&#240;aR u           > F0 61 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017514525BC0, 16 bytes long.
 Data: <&#200;aR u           > C8 61 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017514520920, 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 0x0000017514525990, 16 bytes long.
 Data: <&#160;aR u           > A0 61 52 14 75 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000175145261A0, 992 bytes long.
 Data: < YR u    	R u   > 90 59 52 14 75 01 00 00 20 09 52 14 75 01 00 00 
{92} normal block at 0x00000175145209E0, 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 0x000001751451F950, 16 bytes long.
 Data: <p&#238;P u           > 70 EE 50 14 75 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001751450EE70, 40 bytes long.
 Data: <P&#249;Q u   &#224;	R u   > 50 F9 51 14 75 01 00 00 E0 09 52 14 75 01 00 00 
{69} normal block at 0x000001751451FC20, 16 bytes long.
 Data: < &#234;&#135;&#219;&#247;           > 80 EA 87 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001751451FEF0, 16 bytes long.
 Data: <@&#233;&#135;&#219;&#247;           > 40 E9 87 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017514520170, 16 bytes long.
 Data: <&#248;W&#132;&#219;&#247;           > F8 57 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001751451FB30, 16 bytes long.
 Data: <&#216;W&#132;&#219;&#247;           > D8 57 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001751451F630, 16 bytes long.
 Data: <P &#132;&#219;&#247;           > 50 04 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001751451FAE0, 16 bytes long.
 Data: <0 &#132;&#219;&#247;           > 30 04 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001751451FD60, 16 bytes long.
 Data: <&#224; &#132;&#219;&#247;           > E0 02 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001751451F7C0, 16 bytes long.
 Data: <  &#132;&#219;&#247;           > 10 04 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001751451F590, 16 bytes long.
 Data: <p &#132;&#219;&#247;           > 70 04 84 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001751451FA90, 16 bytes long.
 Data: < &#192;&#130;&#219;&#247;           > 18 C0 82 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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