Task 38667686

Name test_265-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8375_0
Workunit 31610286
Created 25 Oct 2026, 8:58:59 UTC
Sent 25 Oct 2026, 8:59:05 UTC
Report deadline 30 Oct 2026, 8:59:05 UTC
Received 25 Oct 2026, 12:11:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583658
Run time 55 min 13 sec
CPU time 53 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,419.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.13 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
07:17:37 (22564): wrapper (7.9.26016): starting
07:17:37 (22564): 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
07:17:39 (22564): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:17:39 (22564): 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
08:11:08 (22564): C:/Windows/system32/cmd.exe exited; CPU time 3182.328125
08:11:08 (22564): 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: 72628697 bytes.
Dumping objects ->
{3835315} normal block at 0x000001872F020F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835304} normal block at 0x000001872F021100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x000001872F020E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835282} normal block at 0x000001872F020D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001872F021560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835240} normal block at 0x000001872F0CBEB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001872F12D120, 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) : {3835226} normal block at 0x000001872D5D6B30, 8 bytes long.
 Data: <  &#235;.&#135;   > 00 00 EB 2E 87 01 00 00 
{3834574} normal block at 0x000001872F12DB70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001872D5D6860, 8 bytes long.
 Data: <p&#199; /&#135;   > 70 C7 02 2F 87 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001872D5E11B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001872D5E20F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001872D5E2EC0, 16 bytes long.
 Data: <&#216;8^-&#135;           > D8 38 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001872D5E2970, 16 bytes long.
 Data: <&#176;8^-&#135;           > B0 38 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001872D5DCE20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001872D5E26F0, 16 bytes long.
 Data: < 8^-&#135;           > 88 38 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001872D5E2560, 16 bytes long.
 Data: <`8^-&#135;           > 60 38 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001872D5E2B00, 16 bytes long.
 Data: <88^-&#135;           > 38 38 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001872D5E2790, 16 bytes long.
 Data: < 8^-&#135;           > 10 38 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001872D5DB880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001872D5E2C40, 16 bytes long.
 Data: <  ^-&#135;           > 88 20 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001872D5DD900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001872D5E24C0, 16 bytes long.
 Data: <` ^-&#135;           > 60 20 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001872D5E2330, 16 bytes long.
 Data: <8 ^-&#135;           > 38 20 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001872D5E2E70, 16 bytes long.
 Data: <  ^-&#135;           > 10 20 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001872D5E2AB0, 16 bytes long.
 Data: <&#232; ^-&#135;           > E8 1F 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001872D5E2C90, 16 bytes long.
 Data: <&#192; ^-&#135;           > C0 1F 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001872D5E3050, 16 bytes long.
 Data: <  ^-&#135;           > 98 1F 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001872D5DCDC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001872D5E2A60, 16 bytes long.
 Data: <p ^-&#135;           > 70 1F 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001872D5E1F70, 320 bytes long.
 Data: <`*^-&#135;   &#192;&#205;]-&#135;   > 60 2A 5E 2D 87 01 00 00 C0 CD 5D 2D 87 01 00 00 
{271} normal block at 0x000001872D5E2510, 16 bytes long.
 Data: <&#240;7^-&#135;           > F0 37 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001872D5E2920, 16 bytes long.
 Data: <&#200;7^-&#135;           > C8 37 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001872D5DCD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001872D5E2420, 16 bytes long.
 Data: <&#160;7^-&#135;           > A0 37 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001872D5DD5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001872D5E2830, 16 bytes long.
 Data: <&#232;6^-&#135;           > E8 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001872D5E30A0, 16 bytes long.
 Data: <&#192;6^-&#135;           > C0 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001872D5E2380, 16 bytes long.
 Data: < 6^-&#135;           > 98 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001872D5E2A10, 16 bytes long.
 Data: <p6^-&#135;           > 70 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001872D5E28D0, 16 bytes long.
 Data: <H6^-&#135;           > 48 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001872D5E3140, 16 bytes long.
 Data: < 6^-&#135;           > 20 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001872D5E30F0, 16 bytes long.
 Data: <&#208;&#178;]-&#135;           > D0 B2 5D 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001872D5DB2D0, 40 bytes long.
 Data: <&#240;0^-&#135;   &#176;&#190; /&#135;   > F0 30 5E 2D 87 01 00 00 B0 BE 0C 2F 87 01 00 00 
{257} normal block at 0x000001872D5E22E0, 16 bytes long.
 Data: < 6^-&#135;           > 00 36 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001872D5E21F0, 16 bytes long.
 Data: <&#216;5^-&#135;           > D8 35 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001872D5DD8A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001872D5E2470, 16 bytes long.
 Data: <&#176;5^-&#135;           > B0 35 5E 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001872D5E35B0, 992 bytes long.
 Data: <p$^-&#135;   &#160;&#216;]-&#135;   > 70 24 5E 2D 87 01 00 00 A0 D8 5D 2D 87 01 00 00 
{89} normal block at 0x000001872D5DD000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001872D5D7440, 16 bytes long.
 Data: <@&#179;]-&#135;           > 40 B3 5D 2D 87 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001872D5DB340, 40 bytes long.
 Data: <@t]-&#135;    &#208;]-&#135;   > 40 74 5D 2D 87 01 00 00 00 D0 5D 2D 87 01 00 00 
{66} normal block at 0x000001872D5D7120, 16 bytes long.
 Data: < &#234;5`&#246;           > 80 EA 35 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001872D5D6810, 16 bytes long.
 Data: <@&#233;5`&#246;           > 40 E9 35 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001872D5D6A40, 16 bytes long.
 Data: <&#248;W2`&#246;           > F8 57 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001872D5D6E50, 16 bytes long.
 Data: <&#216;W2`&#246;           > D8 57 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001872D5D70D0, 16 bytes long.
 Data: <P 2`&#246;           > 50 04 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001872D5D7210, 16 bytes long.
 Data: <0 2`&#246;           > 30 04 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001872D5D6680, 16 bytes long.
 Data: <&#224; 2`&#246;           > E0 02 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001872D5D7300, 16 bytes long.
 Data: <  2`&#246;           > 10 04 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001872D5D6D60, 16 bytes long.
 Data: <p 2`&#246;           > 70 04 32 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001872D5D6DB0, 16 bytes long.
 Data: < &#192;0`&#246;           > 18 C0 30 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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