Task 38688664

Name test_31-GPUGRID_TEST_ATM_100_20261023-0-1-RND7977_1
Workunit 31590268
Created 28 Oct 2026, 15:28:13 UTC
Sent 28 Oct 2026, 15:28:25 UTC
Report deadline 2 Nov 2026, 15:28:25 UTC
Received 28 Oct 2026, 17:11:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 35 min 42 sec
CPU time 32 min 9 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 814.69 MB
Peak swap size 9.25 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:36:38 (29396): wrapper (7.9.26016): starting
09:36:38 (29396): 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
09:36:39 (29396): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:36:39 (29396): 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\0\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\0\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
10:10:29 (29396): C:/Windows/system32/cmd.exe exited; CPU time 1929.375000
10:10:29 (29396): 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: 63299951 bytes.
Dumping objects ->
{3835516} normal block at 0x000001B919CE9FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000001B919CE9E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x000001B919CEA550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x000001B917F75FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x000001B917F75C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x000001B919CFAD10, 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) : {3835428} normal block at 0x000001B917F6EE60, 8 bytes long.
 Data: <  8 &#185;   > 00 00 38 18 B9 01 00 00 
{3833971} normal block at 0x000001B917F6E1E0, 8 bytes long.
 Data: <&#176;Q&#213; &#185;   > B0 51 D5 19 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001B917F6FFF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001B917F66D90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001B917F76A40, 16 bytes long.
 Data: <&#168;z&#247; &#185;           > A8 7A F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B917F76E00, 16 bytes long.
 Data: < z&#247; &#185;           > 80 7A F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B917F70860, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001B917F77210, 16 bytes long.
 Data: <Xz&#247; &#185;           > 58 7A F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B917F770D0, 16 bytes long.
 Data: <0z&#247; &#185;           > 30 7A F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B917F773A0, 16 bytes long.
 Data: < z&#247; &#185;           > 08 7A F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B917F76EF0, 16 bytes long.
 Data: <&#224;y&#247; &#185;           > E0 79 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B917F76020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001B917F76950, 16 bytes long.
 Data: <&#232;	&#246; &#185;           > E8 09 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B917F70C80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001B917F77670, 16 bytes long.
 Data: <&#192;	&#246; &#185;           > C0 09 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B917F76E50, 16 bytes long.
 Data: < 	&#246; &#185;           > 98 09 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B917F769F0, 16 bytes long.
 Data: <p	&#246; &#185;           > 70 09 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B917F76CC0, 16 bytes long.
 Data: <H	&#246; &#185;           > 48 09 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B917F76DB0, 16 bytes long.
 Data: < 	&#246; &#185;           > 20 09 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B917F769A0, 16 bytes long.
 Data: <&#248; &#246; &#185;           > F8 08 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B917F706E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001B917F77120, 16 bytes long.
 Data: <&#208; &#246; &#185;           > D0 08 F6 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B917F608D0, 320 bytes long.
 Data: < q&#247; &#185;   &#224; &#247; &#185;   > 20 71 F7 17 B9 01 00 00 E0 06 F7 17 B9 01 00 00 
{281} normal block at 0x000001B917F76900, 16 bytes long.
 Data: <&#192;y&#247; &#185;           > C0 79 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B917F76860, 16 bytes long.
 Data: < y&#247; &#185;           > 98 79 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B917F713A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001B917F77030, 16 bytes long.
 Data: <py&#247; &#185;           > 70 79 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B917F71340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001B917F76F90, 16 bytes long.
 Data: <&#184;x&#247; &#185;           > B8 78 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B917F77620, 16 bytes long.
 Data: < x&#247; &#185;           > 90 78 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B917F77350, 16 bytes long.
 Data: <hx&#247; &#185;           > 68 78 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B917F77530, 16 bytes long.
 Data: <@x&#247; &#185;           > 40 78 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B917F77710, 16 bytes long.
 Data: < x&#247; &#185;           > 18 78 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B917F76D60, 16 bytes long.
 Data: <&#240;w&#247; &#185;           > F0 77 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B917F76BD0, 16 bytes long.
 Data: <&#192;[&#247; &#185;           > C0 5B F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B917F75BC0, 40 bytes long.
 Data: <&#208;k&#247; &#185;    &#173;&#207; &#185;   > D0 6B F7 17 B9 01 00 00 10 AD CF 19 B9 01 00 00 
{267} normal block at 0x000001B917F768B0, 16 bytes long.
 Data: <&#208;w&#247; &#185;           > D0 77 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B917F76810, 16 bytes long.
 Data: <&#168;w&#247; &#185;           > A8 77 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B917F70E60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001B917F776C0, 16 bytes long.
 Data: < w&#247; &#185;           > 80 77 F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B917F77780, 992 bytes long.
 Data: <&#192;v&#247; &#185;   ` &#247; &#185;   > C0 76 F7 17 B9 01 00 00 60 0E F7 17 B9 01 00 00 
{99} normal block at 0x000001B917F70620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001B917F6EEB0, 16 bytes long.
 Data: <&#160;\&#247; &#185;           > A0 5C F7 17 B9 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001B917F75CA0, 40 bytes long.
 Data: <&#176;&#238;&#246; &#185;     &#247; &#185;   > B0 EE F6 17 B9 01 00 00 20 06 F7 17 B9 01 00 00 
{76} normal block at 0x000001B917F6E550, 16 bytes long.
 Data: < &#234;&#240;&#173;&#247;           > 80 EA F0 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001B917F6EDC0, 16 bytes long.
 Data: <@&#233;&#240;&#173;&#247;           > 40 E9 F0 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001B917F6E410, 16 bytes long.
 Data: <&#248;W&#237;&#173;&#247;           > F8 57 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B917F6E690, 16 bytes long.
 Data: <&#216;W&#237;&#173;&#247;           > D8 57 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B917F6EA50, 16 bytes long.
 Data: <P &#237;&#173;&#247;           > 50 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B917F6EA00, 16 bytes long.
 Data: <0 &#237;&#173;&#247;           > 30 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B917F6ECD0, 16 bytes long.
 Data: <&#224; &#237;&#173;&#247;           > E0 02 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B917F6E960, 16 bytes long.
 Data: <  &#237;&#173;&#247;           > 10 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B917F6E0F0, 16 bytes long.
 Data: <p &#237;&#173;&#247;           > 70 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B917F6E870, 16 bytes long.
 Data: < &#192;&#235;&#173;&#247;           > 18 C0 EB AD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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