Task 38686128

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8551_0
Workunit 31627569
Created 28 Oct 2026, 0:49:45 UTC
Sent 28 Oct 2026, 0:49:47 UTC
Report deadline 2 Nov 2026, 0:49:47 UTC
Received 28 Oct 2026, 1:27:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 36 min 38 sec
CPU time 31 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.85 MB
Peak swap size 13.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:50:57 (15988): wrapper (7.9.26016): starting
17:50:57 (15988): 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
17:50:58 (15988): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:50:58 (15988): 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\2\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\2\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
18:26:34 (15988): C:/Windows/system32/cmd.exe exited; CPU time 1916.687500
18:26:34 (15988): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 29581719 bytes.
Dumping objects ->
{3835318} normal block at 0x00000163AA6A5F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000163AA6A5E90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x00000163AA6A5E20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x00000163AA6A5DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x00000163AA6A5D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x00000163AC39C810, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x00000163AC3AFAB0, 102 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) : {3835229} normal block at 0x00000163AA69FA20, 8 bytes long.
 Data: <  f&#170;c   > 00 00 66 AA 63 01 00 00 
{3834578} normal block at 0x00000163AC3AFD70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000163AA69FF70, 8 bytes long.
 Data: <&#192;&#185;l&#170;c   > C0 B9 6C AA 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000163AA6A1F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000163AA697440, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000163AA6A6CA0, 16 bytes long.
 Data: <xvj&#170;c           > 78 76 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000163AA6A6B10, 16 bytes long.
 Data: <Pvj&#170;c           > 50 76 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000163AA6A1300, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000163AA6A6980, 16 bytes long.
 Data: <(vj&#170;c           > 28 76 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000163AA6A70B0, 16 bytes long.
 Data: < vj&#170;c           > 00 76 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000163AA6A6F70, 16 bytes long.
 Data: <&#216;uj&#170;c           > D8 75 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000163AA6A6F20, 16 bytes long.
 Data: <&#176;uj&#170;c           > B0 75 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000163AA6A60C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000163AA6A6A20, 16 bytes long.
 Data: <&#248;&#159;i&#170;c           > F8 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000163AA6A13C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000163AA6A6C50, 16 bytes long.
 Data: <&#208;&#159;i&#170;c           > D0 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000163AA6A6D40, 16 bytes long.
 Data: <&#168;&#159;i&#170;c           > A8 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000163AA6A6520, 16 bytes long.
 Data: < &#159;i&#170;c           > 80 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000163AA6A6E30, 16 bytes long.
 Data: <X&#159;i&#170;c           > 58 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000163AA6A6E80, 16 bytes long.
 Data: <0&#159;i&#170;c           > 30 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000163AA6A7060, 16 bytes long.
 Data: < &#159;i&#170;c           > 08 9F 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000163AA6A1540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000163AA6A68E0, 16 bytes long.
 Data: <&#224;&#158;i&#170;c           > E0 9E 69 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000163AA699EE0, 320 bytes long.
 Data: <&#224;hj&#170;c   @ j&#170;c   > E0 68 6A AA 63 01 00 00 40 15 6A AA 63 01 00 00 
{276} normal block at 0x00000163AA6A6C00, 16 bytes long.
 Data: < uj&#170;c           > 90 75 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000163AA6A6A70, 16 bytes long.
 Data: <huj&#170;c           > 68 75 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000163AA6A0B20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000163AA6A7290, 16 bytes long.
 Data: <@uj&#170;c           > 40 75 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000163AA6A12A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000163AA6A6660, 16 bytes long.
 Data: < tj&#170;c           > 88 74 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000163AA6A6430, 16 bytes long.
 Data: <`tj&#170;c           > 60 74 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000163AA6A6AC0, 16 bytes long.
 Data: <8tj&#170;c           > 38 74 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000163AA6A6700, 16 bytes long.
 Data: < tj&#170;c           > 10 74 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000163AA6A6ED0, 16 bytes long.
 Data: <&#232;sj&#170;c           > E8 73 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000163AA6A6BB0, 16 bytes long.
 Data: <&#192;sj&#170;c           > C0 73 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000163AA6A66B0, 16 bytes long.
 Data: <P`j&#170;c           > 50 60 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000163AA6A6050, 40 bytes long.
 Data: <&#176;fj&#170;c    &#200;9&#172;c   > B0 66 6A AA 63 01 00 00 10 C8 39 AC 63 01 00 00 
{262} normal block at 0x00000163AA6A6B60, 16 bytes long.
 Data: <&#160;sj&#170;c           > A0 73 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000163AA6A7010, 16 bytes long.
 Data: <xsj&#170;c           > 78 73 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000163AA6A0B80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000163AA6A6DE0, 16 bytes long.
 Data: <Psj&#170;c           > 50 73 6A AA 63 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000163AA6A7350, 992 bytes long.
 Data: <&#224;mj&#170;c     j&#170;c   > E0 6D 6A AA 63 01 00 00 80 0B 6A AA 63 01 00 00 
{94} normal block at 0x00000163AA6A0E80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000163AA69FB60, 16 bytes long.
 Data: < &#195;h&#170;c           > 90 C3 68 AA 63 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000163AA68C390, 40 bytes long.
 Data: <`&#251;i&#170;c     j&#170;c   > 60 FB 69 AA 63 01 00 00 80 0E 6A AA 63 01 00 00 
{71} normal block at 0x00000163AA6A01A0, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000163AA6A0330, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000163AA69FE80, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000163AA69FED0, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000163AA6A07E0, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000163AA6A0240, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000163AA6A01F0, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000163AA69F9D0, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000163AA6A0420, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000163AA69FC00, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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