Task 38667534

Name test_288-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1864_1
Workunit 31600302
Created 25 Oct 2026, 8:24:22 UTC
Sent 25 Oct 2026, 8:24:30 UTC
Report deadline 30 Oct 2026, 8:24:30 UTC
Received 25 Oct 2026, 8:50:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 25 min 28 sec
CPU time 24 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.49 MB
Peak swap size 6.78 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
04:25:34 (27932): wrapper (7.9.26016): starting
04:25:34 (27932): 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
04:25:35 (27932): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:25:35 (27932): 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
04:50:09 (27932): C:/Windows/system32/cmd.exe exited; CPU time 1475.562500
04:50:09 (27932): 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: 26168329 bytes.
Dumping objects ->
{3835542} normal block at 0x000001847A276930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001847A276850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x000001847A276B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x000001847A276C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000001847A2769A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000001847BEB9E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001847BECF0C0, 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) : {3835453} normal block at 0x000001847A26D890, 8 bytes long.
 Data: <  az&#132;   > 00 00 61 7A 84 01 00 00 
{3834690} normal block at 0x000001847BECF2D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001847A26D840, 8 bytes long.
 Data: <&#208;J&#241;{&#132;   > D0 4A F1 7B 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001847A271670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001847A25EC20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001847A2760C0, 16 bytes long.
 Data: <He'z&#132;           > 48 65 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001847A2753F0, 16 bytes long.
 Data: < e'z&#132;           > 20 65 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001847A26F6C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001847A2758F0, 16 bytes long.
 Data: <&#248;d'z&#132;           > F8 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001847A2761B0, 16 bytes long.
 Data: <&#208;d'z&#132;           > D0 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001847A2756C0, 16 bytes long.
 Data: <&#168;d'z&#132;           > A8 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001847A275F80, 16 bytes long.
 Data: < d'z&#132;           > 80 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001847A276D90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001847A2757B0, 16 bytes long.
 Data: < &#148;&z&#132;           > 18 94 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001847A2703E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001847A275AD0, 16 bytes long.
 Data: <&#240;&#147;&z&#132;           > F0 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001847A275F30, 16 bytes long.
 Data: <&#200;&#147;&z&#132;           > C8 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001847A275E90, 16 bytes long.
 Data: <&#160;&#147;&z&#132;           > A0 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001847A275990, 16 bytes long.
 Data: <x&#147;&z&#132;           > 78 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001847A275DA0, 16 bytes long.
 Data: <P&#147;&z&#132;           > 50 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001847A275D50, 16 bytes long.
 Data: <(&#147;&z&#132;           > 28 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001847A26FAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001847A275B20, 16 bytes long.
 Data: < &#147;&z&#132;           > 00 93 26 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001847A269300, 320 bytes long.
 Data: < ['z&#132;   &#224;&#250;&z&#132;   > 20 5B 27 7A 84 01 00 00 E0 FA 26 7A 84 01 00 00 
{275} normal block at 0x000001847A275E40, 16 bytes long.
 Data: <`d'z&#132;           > 60 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001847A275A80, 16 bytes long.
 Data: <8d'z&#132;           > 38 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001847A26FA20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001847A2758A0, 16 bytes long.
 Data: < d'z&#132;           > 10 64 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001847A26FF60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001847A275EE0, 16 bytes long.
 Data: <Xc'z&#132;           > 58 63 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001847A275350, 16 bytes long.
 Data: <0c'z&#132;           > 30 63 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001847A275A30, 16 bytes long.
 Data: < c'z&#132;           > 08 63 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001847A275260, 16 bytes long.
 Data: <&#224;b'z&#132;           > E0 62 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001847A275530, 16 bytes long.
 Data: <&#184;b'z&#132;           > B8 62 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001847A276070, 16 bytes long.
 Data: < b'z&#132;           > 90 62 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001847A275D00, 16 bytes long.
 Data: < &#228;%z&#132;           > 90 E4 25 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001847A25E490, 40 bytes long.
 Data: < ]'z&#132;   0&#158;&#235;{&#132;   > 00 5D 27 7A 84 01 00 00 30 9E EB 7B 84 01 00 00 
{261} normal block at 0x000001847A275DF0, 16 bytes long.
 Data: <pb'z&#132;           > 70 62 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001847A276160, 16 bytes long.
 Data: <Hb'z&#132;           > 48 62 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001847A26F540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001847A275BC0, 16 bytes long.
 Data: < b'z&#132;           > 20 62 27 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001847A276220, 992 bytes long.
 Data: <&#192;['z&#132;   @&#245;&z&#132;   > C0 5B 27 7A 84 01 00 00 40 F5 26 7A 84 01 00 00 
{93} normal block at 0x000001847A270320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001847A26E470, 16 bytes long.
 Data: <&#160;&#221;%z&#132;           > A0 DD 25 7A 84 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001847A25DDA0, 40 bytes long.
 Data: <p&#228;&z&#132;     'z&#132;   > 70 E4 26 7A 84 01 00 00 20 03 27 7A 84 01 00 00 
{70} normal block at 0x000001847A26D7F0, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001847A26D6B0, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001847A26D610, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001847A26E100, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001847A26E0B0, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001847A26E3D0, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001847A26E420, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001847A26D700, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001847A26E4C0, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001847A26DA70, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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