Task 38660758

Name test_317-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5431_0
Workunit 31604230
Created 24 Oct 2026, 14:41:37 UTC
Sent 24 Oct 2026, 15:40:30 UTC
Report deadline 29 Oct 2026, 15:40:30 UTC
Received 25 Oct 2026, 7:24:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643341
Run time 21 min 3 sec
CPU time 16 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.52 MB
Peak swap size 9.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:04:17 (6012): wrapper (7.9.26016): starting
08:04:17 (6012): 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
08:04:18 (6012): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:04:18 (6012): 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 'D:\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 'D:\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
08:24:00 (6012): C:/Windows/system32/cmd.exe exited; CPU time 993.531250
08:24:00 (6012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 24605395 bytes.
Dumping objects ->
{3835203} normal block at 0x000001B903065F90, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835192} normal block at 0x000001B9051A1770, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x000001B9051A1530, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835170} normal block at 0x000001B9051A0B10, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835159} normal block at 0x000001B9051A1290, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835128} normal block at 0x000001B903065AC0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000001B90305D0C0, 8 bytes long.
 Data: <  &#226; &#185;   > 00 00 E2 02 B9 01 00 00 
{3833961} normal block at 0x000001B90305D700, 8 bytes long.
 Data: < 5  &#185;   > 00 35 1B 05 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B903055BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B90305EF50, 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 0x000001B903064E20, 16 bytes long.
 Data: <xY  &#185;           > 78 59 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B9030642E0, 16 bytes long.
 Data: <PY  &#185;           > 50 59 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B903060170, 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 0x000001B903064560, 16 bytes long.
 Data: <(Y  &#185;           > 28 59 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B903064830, 16 bytes long.
 Data: < Y  &#185;           > 00 59 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B903064DD0, 16 bytes long.
 Data: <&#216;X  &#185;           > D8 58 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B9030643D0, 16 bytes long.
 Data: <&#176;X  &#185;           > B0 58 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B903065C10, 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 0x000001B9030648D0, 16 bytes long.
 Data: <8&#240;  &#185;           > 38 F0 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B903060530, 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 0x000001B903064C40, 16 bytes long.
 Data: < &#240;  &#185;           > 10 F0 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B9030646F0, 16 bytes long.
 Data: <&#232;&#239;  &#185;           > E8 EF 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B903064510, 16 bytes long.
 Data: <&#192;&#239;  &#185;           > C0 EF 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B903064D30, 16 bytes long.
 Data: < &#239;  &#185;           > 98 EF 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B9030644C0, 16 bytes long.
 Data: <p&#239;  &#185;           > 70 EF 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9030650A0, 16 bytes long.
 Data: <H&#239;  &#185;           > 48 EF 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B9030600B0, 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 0x000001B903064740, 16 bytes long.
 Data: < &#239;  &#185;           > 20 EF 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B90304EF20, 320 bytes long.
 Data: <@G  &#185;   &#176;   &#185;   > 40 47 06 03 B9 01 00 00 B0 00 06 03 B9 01 00 00 
{276} normal block at 0x000001B9030646A0, 16 bytes long.
 Data: < X  &#185;           > 90 58 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B903064B50, 16 bytes long.
 Data: <hX  &#185;           > 68 58 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B90305FAB0, 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 0x000001B903064E70, 16 bytes long.
 Data: <@X  &#185;           > 40 58 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B90305FA50, 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 0x000001B903065050, 16 bytes long.
 Data: < W  &#185;           > 88 57 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B9030647E0, 16 bytes long.
 Data: <`W  &#185;           > 60 57 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B903064BF0, 16 bytes long.
 Data: <8W  &#185;           > 38 57 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B903064650, 16 bytes long.
 Data: < W  &#185;           > 10 57 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B903064D80, 16 bytes long.
 Data: <&#232;V  &#185;           > E8 56 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9030651E0, 16 bytes long.
 Data: <&#192;V  &#185;           > C0 56 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B903064290, 16 bytes long.
 Data: <p&#227;  &#185;           > 70 E3 05 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B90305E370, 40 bytes long.
 Data: < B  &#185;   &#192;Z  &#185;   > 90 42 06 03 B9 01 00 00 C0 5A 06 03 B9 01 00 00 
{262} normal block at 0x000001B903064600, 16 bytes long.
 Data: <&#160;V  &#185;           > A0 56 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B903064380, 16 bytes long.
 Data: <xV  &#185;           > 78 56 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B90305F9F0, 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 0x000001B903064470, 16 bytes long.
 Data: <PV  &#185;           > 50 56 06 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B903065650, 992 bytes long.
 Data: <pD  &#185;   &#240;&#249;  &#185;   > 70 44 06 03 B9 01 00 00 F0 F9 05 03 B9 01 00 00 
{94} normal block at 0x000001B903060110, 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 0x000001B90305C990, 16 bytes long.
 Data: <&#208;&#243;  &#185;           > D0 F3 04 03 B9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B90304F3D0, 40 bytes long.
 Data: < &#201;  &#185;       &#185;   > 90 C9 05 03 B9 01 00 00 10 01 06 03 B9 01 00 00 
{71} normal block at 0x000001B90305D430, 16 bytes long.
 Data: < &#234;.Z&#246;           > 80 EA 2E 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B90305CB70, 16 bytes long.
 Data: <@&#233;.Z&#246;           > 40 E9 2E 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B90305D1B0, 16 bytes long.
 Data: <&#248;W+Z&#246;           > F8 57 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B90305CC60, 16 bytes long.
 Data: <&#216;W+Z&#246;           > D8 57 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B90305D3E0, 16 bytes long.
 Data: <P +Z&#246;           > 50 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B90305D6B0, 16 bytes long.
 Data: <0 +Z&#246;           > 30 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B90305D2F0, 16 bytes long.
 Data: <&#224; +Z&#246;           > E0 02 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B90305CAD0, 16 bytes long.
 Data: <  +Z&#246;           > 10 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B90305D020, 16 bytes long.
 Data: <p +Z&#246;           > 70 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B90305D250, 16 bytes long.
 Data: < &#192;)Z&#246;           > 18 C0 29 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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