Task 38667900

Name test_604-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5140_0
Workunit 31610478
Created 25 Oct 2026, 9:52:41 UTC
Sent 25 Oct 2026, 9:52:56 UTC
Report deadline 30 Oct 2026, 9:52:56 UTC
Received 25 Oct 2026, 11:29:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602451
Run time 1 hours 34 min 57 sec
CPU time 1 hours 30 min 55 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 679.52 MB
Peak swap size 5.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:54:00 (15896): wrapper (7.9.26016): starting
10:54:00 (15896): 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
10:54:01 (15896): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:54:01 (15896): 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
12:29:02 (15896): C:/Windows/system32/cmd.exe exited; CPU time 5455.484375
12:29:02 (15896): 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: 89390239 bytes.
Dumping objects ->
{3835513} normal block at 0x0000027C28745BC0, 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 0x0000027C28745B50, 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 0x0000027C28745AE0, 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 0x0000027C287458B0, 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 0x0000027C28745C30, 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 0x0000027C2A2CAE00, 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 0x0000027C2873F9C0, 8 bytes long.
 Data: <  &#190;(|   > 00 00 BE 28 7C 02 00 00 
{3833967} normal block at 0x0000027C2873F3D0, 8 bytes long.
 Data: <`Q2*|   > 60 51 32 2A 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027C28741760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027C2872E960, 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 0x0000027C28746820, 16 bytes long.
 Data: <&#200;tt(|           > C8 74 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027C28746DC0, 16 bytes long.
 Data: <&#160;tt(|           > A0 74 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027C287409B0, 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 0x0000027C28746320, 16 bytes long.
 Data: <xtt(|           > 78 74 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027C28747040, 16 bytes long.
 Data: <Ptt(|           > 50 74 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027C28746A00, 16 bytes long.
 Data: <(tt(|           > 28 74 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027C28746AF0, 16 bytes long.
 Data: < tt(|           > 00 74 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027C28745DF0, 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 0x0000027C287467D0, 16 bytes long.
 Data: < Ut(|           > 88 55 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C28740FB0, 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 0x0000027C28746230, 16 bytes long.
 Data: <`Ut(|           > 60 55 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027C28746F50, 16 bytes long.
 Data: <8Ut(|           > 38 55 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027C28746F00, 16 bytes long.
 Data: < Ut(|           > 10 55 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027C28746500, 16 bytes long.
 Data: <&#232;Tt(|           > E8 54 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027C28746690, 16 bytes long.
 Data: <&#192;Tt(|           > C0 54 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027C287462D0, 16 bytes long.
 Data: < Tt(|           > 98 54 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027C28741010, 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 0x0000027C28746CD0, 16 bytes long.
 Data: <pTt(|           > 70 54 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027C28745470, 320 bytes long.
 Data: <&#208;lt(|     t(|   > D0 6C 74 28 7C 02 00 00 10 10 74 28 7C 02 00 00 
{279} normal block at 0x0000027C28746780, 16 bytes long.
 Data: <&#224;st(|           > E0 73 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027C287466E0, 16 bytes long.
 Data: <&#184;st(|           > B8 73 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027C28740A10, 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 0x0000027C287464B0, 16 bytes long.
 Data: < st(|           > 90 73 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027C28740590, 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 0x0000027C287465F0, 16 bytes long.
 Data: <&#216;rt(|           > D8 72 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027C28746D70, 16 bytes long.
 Data: <&#176;rt(|           > B0 72 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027C28746FA0, 16 bytes long.
 Data: < rt(|           > 88 72 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027C28746640, 16 bytes long.
 Data: <`rt(|           > 60 72 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027C28746410, 16 bytes long.
 Data: <8rt(|           > 38 72 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027C28746460, 16 bytes long.
 Data: < rt(|           > 10 72 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027C287463C0, 16 bytes long.
 Data: <&#160;\t(|           > A0 5C 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027C28745CA0, 40 bytes long.
 Data: <&#192;ct(|    &#174;,*|   > C0 63 74 28 7C 02 00 00 00 AE 2C 2A 7C 02 00 00 
{265} normal block at 0x0000027C287461E0, 16 bytes long.
 Data: <&#240;qt(|           > F0 71 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027C28746D20, 16 bytes long.
 Data: <&#200;qt(|           > C8 71 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027C28740E30, 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 0x0000027C28746E60, 16 bytes long.
 Data: <&#160;qt(|           > A0 71 74 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027C287471A0, 992 bytes long.
 Data: <`nt(|   0 t(|   > 60 6E 74 28 7C 02 00 00 30 0E 74 28 7C 02 00 00 
{97} normal block at 0x0000027C287404D0, 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 0x0000027C2873F380, 16 bytes long.
 Data: <@Ts(|           > 40 54 73 28 7C 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000027C28735440, 40 bytes long.
 Data: < &#243;s(|   &#208; t(|   > 80 F3 73 28 7C 02 00 00 D0 04 74 28 7C 02 00 00 
{74} normal block at 0x0000027C2873FBA0, 16 bytes long.
 Data: < &#234;*&#138;&#246;           > 80 EA 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027C2873F600, 16 bytes long.
 Data: <@&#233;*&#138;&#246;           > 40 E9 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027C2873F5B0, 16 bytes long.
 Data: <&#248;W'&#138;&#246;           > F8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027C2873F970, 16 bytes long.
 Data: <&#216;W'&#138;&#246;           > D8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027C2873F330, 16 bytes long.
 Data: <P '&#138;&#246;           > 50 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027C2873F4C0, 16 bytes long.
 Data: <0 '&#138;&#246;           > 30 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027C2873F470, 16 bytes long.
 Data: <&#224; '&#138;&#246;           > E0 02 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027C2873FC90, 16 bytes long.
 Data: <  '&#138;&#246;           > 10 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027C2873FE70, 16 bytes long.
 Data: <p '&#138;&#246;           > 70 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027C2873F510, 16 bytes long.
 Data: < &#192;%&#138;&#246;           > 18 C0 25 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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