Task 38682218

Name test_687-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7624_0
Workunit 31623848
Created 27 Oct 2026, 7:02:02 UTC
Sent 27 Oct 2026, 7:02:10 UTC
Report deadline 1 Nov 2026, 7:02:10 UTC
Received 27 Oct 2026, 8:12:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 17 min 19 sec
CPU time 15 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.67 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:54:54 (49412): wrapper (7.9.26016): starting
02:54:54 (49412): 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
02:54:55 (49412): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:54:55 (49412): 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
03:11:57 (49412): C:/Windows/system32/cmd.exe exited; CPU time 955.796875
03:11:57 (49412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21249173 bytes.
Dumping objects ->
{3835289} normal block at 0x000001D584405620, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000001D5844055B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001D584405540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x000001D584405460, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001D584405930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x000001D586247390, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001D58445DCB0, 135 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) : {3835200} normal block at 0x000001D5844003F0, 8 bytes long.
 Data: <  &#147;&#132;&#213;   > 00 00 93 84 D5 01 00 00 
{3834577} normal block at 0x000001D58445DA40, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001D584400F30, 8 bytes long.
 Data: <&#192;&#204;B&#132;&#213;   > C0 CC 42 84 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D584401050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D5843F7570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001D584407020, 16 bytes long.
 Data: <&#184;a@&#132;&#213;           > B8 61 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D5844063F0, 16 bytes long.
 Data: < a@&#132;&#213;           > 90 61 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D5843FF6E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001D584406F30, 16 bytes long.
 Data: <ha@&#132;&#213;           > 68 61 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D584406A30, 16 bytes long.
 Data: <@a@&#132;&#213;           > 40 61 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D584406EE0, 16 bytes long.
 Data: < a@&#132;&#213;           > 18 61 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D584406350, 16 bytes long.
 Data: <&#240;`@&#132;&#213;           > F0 60 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D5844054D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001D584406440, 16 bytes long.
 Data: < &#181;>&#132;&#213;           > 08 B5 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D5843FFBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001D5844063A0, 16 bytes long.
 Data: <&#224;&#180;>&#132;&#213;           > E0 B4 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D584407070, 16 bytes long.
 Data: <&#184;&#180;>&#132;&#213;           > B8 B4 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D584406850, 16 bytes long.
 Data: < &#180;>&#132;&#213;           > 90 B4 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D584406800, 16 bytes long.
 Data: <h&#180;>&#132;&#213;           > 68 B4 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D584406490, 16 bytes long.
 Data: <@&#180;>&#132;&#213;           > 40 B4 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D584406E90, 16 bytes long.
 Data: < &#180;>&#132;&#213;           > 18 B4 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D5843FF2C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001D584406760, 16 bytes long.
 Data: <&#240;&#179;>&#132;&#213;           > F0 B3 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D5843EB3F0, 320 bytes long.
 Data: <`g@&#132;&#213;   &#192;&#242;?&#132;&#213;   > 60 67 40 84 D5 01 00 00 C0 F2 3F 84 D5 01 00 00 
{273} normal block at 0x000001D5844070C0, 16 bytes long.
 Data: <&#208;`@&#132;&#213;           > D0 60 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D584406530, 16 bytes long.
 Data: <&#168;`@&#132;&#213;           > A8 60 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D5843FF3E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001D584406580, 16 bytes long.
 Data: < `@&#132;&#213;           > 80 60 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D5843FF740, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001D5844067B0, 16 bytes long.
 Data: <&#200;_@&#132;&#213;           > C8 5F 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D584406710, 16 bytes long.
 Data: <&#160;_@&#132;&#213;           > A0 5F 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D5844071B0, 16 bytes long.
 Data: <x_@&#132;&#213;           > 78 5F 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D584406FD0, 16 bytes long.
 Data: <P_@&#132;&#213;           > 50 5F 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D584400940, 16 bytes long.
 Data: <(_@&#132;&#213;           > 28 5F 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D5844008F0, 16 bytes long.
 Data: < _@&#132;&#213;           > 00 5F 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D5844005D0, 16 bytes long.
 Data: <PX@&#132;&#213;           > 50 58 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D584405850, 40 bytes long.
 Data: <&#208; @&#132;&#213;    s$&#134;&#213;   > D0 05 40 84 D5 01 00 00 90 73 24 86 D5 01 00 00 
{259} normal block at 0x000001D584400490, 16 bytes long.
 Data: <&#224;^@&#132;&#213;           > E0 5E 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D584400670, 16 bytes long.
 Data: <&#184;^@&#132;&#213;           > B8 5E 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D5843FFB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001D584400C10, 16 bytes long.
 Data: < ^@&#132;&#213;           > 90 5E 40 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D584405E90, 992 bytes long.
 Data: <  @&#132;&#213;   `&#251;?&#132;&#213;   > 10 0C 40 84 D5 01 00 00 60 FB 3F 84 D5 01 00 00 
{91} normal block at 0x000001D5843FF620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001D584400990, 16 bytes long.
 Data: <&#160;&#220;>&#132;&#213;           > A0 DC 3E 84 D5 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001D5843EDCA0, 40 bytes long.
 Data: < 	@&#132;&#213;    &#246;?&#132;&#213;   > 90 09 40 84 D5 01 00 00 20 F6 3F 84 D5 01 00 00 
{68} normal block at 0x000001D584400D50, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D584400C60, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D584400300, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D5844008A0, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D584400080, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D584400440, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D584400620, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D584400A30, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D584400EE0, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D584400E90, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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