Task 38685712

Name test_559-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4092_0
Workunit 31627172
Created 27 Oct 2026, 22:30:37 UTC
Sent 27 Oct 2026, 22:30:40 UTC
Report deadline 1 Nov 2026, 22:30:40 UTC
Received 27 Oct 2026, 23:02:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 30 min 13 sec
CPU time 27 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.16 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:32:54 (27404): wrapper (7.9.26016): starting
22:32:54 (27404): 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
22:32:55 (27404): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:32:55 (27404): 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
23:01:59 (27404): C:/Windows/system32/cmd.exe exited; CPU time 1660.546875
23:01:59 (27404): 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: 26527877 bytes.
Dumping objects ->
{3835306} normal block at 0x0000025553E4C490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000025552304770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x00000255523049A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x0000025552304A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000255523047E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000025553E98520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000025553EAEF70, 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) : {3835217} normal block at 0x00000255522FFD80, 8 bytes long.
 Data: <  &#195;SU   > 00 00 C3 53 55 02 00 00 
{3834571} normal block at 0x0000025553EAEB50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000255522FFF60, 8 bytes long.
 Data: <`X&#242;SU   > 60 58 F2 53 55 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025552300610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000255522EFF40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000025552305B60, 16 bytes long.
 Data: < d0RU           > 98 64 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000255523052A0, 16 bytes long.
 Data: <pd0RU           > 70 64 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000255522FE810, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000025552305980, 16 bytes long.
 Data: <Hd0RU           > 48 64 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025552305570, 16 bytes long.
 Data: < d0RU           > 20 64 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025552305D90, 16 bytes long.
 Data: <&#248;c0RU           > F8 63 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025552305E80, 16 bytes long.
 Data: <&#208;c0RU           > D0 63 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000255523044D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000025552305BB0, 16 bytes long.
 Data: < &#142;/RU           > 08 8E 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000255522FE7B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000025552305520, 16 bytes long.
 Data: <&#224; /RU           > E0 8D 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025552305D40, 16 bytes long.
 Data: <&#184; /RU           > B8 8D 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000255523052F0, 16 bytes long.
 Data: <  /RU           > 90 8D 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025552305700, 16 bytes long.
 Data: <h /RU           > 68 8D 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025552305A70, 16 bytes long.
 Data: <@ /RU           > 40 8D 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000255523054D0, 16 bytes long.
 Data: <  /RU           > 18 8D 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000255522FE690, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000025552305480, 16 bytes long.
 Data: <&#240;&#140;/RU           > F0 8C 2F 52 55 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000255522F8CF0, 320 bytes long.
 Data: < T0RU    &#230;/RU   > 80 54 30 52 55 02 00 00 90 E6 2F 52 55 02 00 00 
{274} normal block at 0x0000025552305610, 16 bytes long.
 Data: <&#176;c0RU           > B0 63 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025552305C50, 16 bytes long.
 Data: < c0RU           > 88 63 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000255522FE570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000025552305B10, 16 bytes long.
 Data: <`c0RU           > 60 63 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000255522FF290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000025552305AC0, 16 bytes long.
 Data: <&#168;b0RU           > A8 62 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025552305430, 16 bytes long.
 Data: < b0RU           > 80 62 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000255523053E0, 16 bytes long.
 Data: <Xb0RU           > 58 62 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025552305C00, 16 bytes long.
 Data: <0b0RU           > 30 62 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000255523057A0, 16 bytes long.
 Data: < b0RU           > 08 62 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025552305FC0, 16 bytes long.
 Data: <&#224;a0RU           > E0 61 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025552305CF0, 16 bytes long.
 Data: <&#176;E0RU           > B0 45 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000255523045B0, 40 bytes long.
 Data: <&#240;\0RU    &#133;&#233;SU   > F0 5C 30 52 55 02 00 00 20 85 E9 53 55 02 00 00 
{260} normal block at 0x0000025552305930, 16 bytes long.
 Data: <&#192;a0RU           > C0 61 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025552305340, 16 bytes long.
 Data: < a0RU           > 98 61 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000255522FE750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000025552305E30, 16 bytes long.
 Data: <pa0RU           > 70 61 30 52 55 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025552306170, 992 bytes long.
 Data: <0^0RU   P&#231;/RU   > 30 5E 30 52 55 02 00 00 50 E7 2F 52 55 02 00 00 
{92} normal block at 0x00000255522FE5D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000255522FFD30, 16 bytes long.
 Data: <@&#199;.RU           > 40 C7 2E 52 55 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000255522EC740, 40 bytes long.
 Data: <0&#253;/RU   &#208;&#229;/RU   > 30 FD 2F 52 55 02 00 00 D0 E5 2F 52 55 02 00 00 
{69} normal block at 0x0000025552300230, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000255522FF740, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000255523000F0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000255522FFE70, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000255523000A0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000255522FF6A0, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000255522FFE20, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000255523003C0, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000255522FFCE0, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000255522FFF10, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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