Task 38657074

Name test_49-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5276_0
Workunit 31600750
Created 24 Oct 2026, 11:17:28 UTC
Sent 24 Oct 2026, 14:05:06 UTC
Report deadline 29 Oct 2026, 14:05:06 UTC
Received 24 Oct 2026, 22:55:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653804
Run time 40 min 33 sec
CPU time 38 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.71 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:58:52 (19920): wrapper (7.9.26016): starting
10:58:52 (19920): 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
10:58:53 (19920): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:58:53 (19920): 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
11:38:46 (19920): C:/Windows/system32/cmd.exe exited; CPU time 2331.765625
11:38:46 (19920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 50595817 bytes.
Dumping objects ->
{3835276} normal block at 0x000002871EFCEF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000002871EFCE900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000002871EFCED60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000002871D2A62A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000002871D2A63F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000002871F01CED0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835188} normal block at 0x000002871D2A0DD0, 8 bytes long.
 Data: <  x &#135;   > 00 00 78 1D 87 02 00 00 
{3833963} normal block at 0x000002871D29FFC0, 8 bytes long.
 Data: < &#245;  &#135;   > 10 F5 02 1F 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002871D29ECB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002871D296FE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002871D2A7790, 16 bytes long.
 Data: <&#200;{* &#135;           > C8 7B 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002871D2A7290, 16 bytes long.
 Data: <&#160;{* &#135;           > A0 7B 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002871D2A1A80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002871D2A7650, 16 bytes long.
 Data: <x{* &#135;           > 78 7B 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002871D2A7560, 16 bytes long.
 Data: <P{* &#135;           > 50 7B 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002871D2A6C50, 16 bytes long.
 Data: <({* &#135;           > 28 7B 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002871D2A7240, 16 bytes long.
 Data: < {* &#135;           > 00 7B 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002871D2A6540, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002871D2A7740, 16 bytes long.
 Data: <h&#184;( &#135;           > 68 B8 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002871D2A19C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002871D2A76A0, 16 bytes long.
 Data: <@&#184;( &#135;           > 40 B8 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002871D2A6ED0, 16 bytes long.
 Data: < &#184;( &#135;           > 18 B8 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002871D2A73D0, 16 bytes long.
 Data: <&#240;&#183;( &#135;           > F0 B7 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002871D2A6A20, 16 bytes long.
 Data: <&#200;&#183;( &#135;           > C8 B7 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002871D2A69D0, 16 bytes long.
 Data: <&#160;&#183;( &#135;           > A0 B7 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002871D2A71F0, 16 bytes long.
 Data: <x&#183;( &#135;           > 78 B7 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002871D2A1000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002871D2A76F0, 16 bytes long.
 Data: <P&#183;( &#135;           > 50 B7 28 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002871D28B750, 320 bytes long.
 Data: <&#240;v* &#135;     * &#135;   > F0 76 2A 1D 87 02 00 00 00 10 2A 1D 87 02 00 00 
{277} normal block at 0x000002871D2A6B60, 16 bytes long.
 Data: <&#224;z* &#135;           > E0 7A 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002871D2A6CA0, 16 bytes long.
 Data: <&#184;z* &#135;           > B8 7A 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002871D2A0F40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002871D2A6E30, 16 bytes long.
 Data: < z* &#135;           > 90 7A 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002871D2A1240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002871D2A77E0, 16 bytes long.
 Data: <&#216;y* &#135;           > D8 79 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002871D2A6980, 16 bytes long.
 Data: <&#176;y* &#135;           > B0 79 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002871D2A71A0, 16 bytes long.
 Data: < y* &#135;           > 88 79 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002871D2A6D40, 16 bytes long.
 Data: <`y* &#135;           > 60 79 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002871D2A7830, 16 bytes long.
 Data: <8y* &#135;           > 38 79 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002871D2A68E0, 16 bytes long.
 Data: < y* &#135;           > 10 79 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002871D2A6F20, 16 bytes long.
 Data: <`d* &#135;           > 60 64 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002871D2A6460, 40 bytes long.
 Data: < o* &#135;   &#208;&#206;  &#135;   > 20 6F 2A 1D 87 02 00 00 D0 CE 01 1F 87 02 00 00 
{263} normal block at 0x000002871D2A7510, 16 bytes long.
 Data: <&#240;x* &#135;           > F0 78 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002871D2A7330, 16 bytes long.
 Data: <&#200;x* &#135;           > C8 78 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002871D2A1120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002871D2A70B0, 16 bytes long.
 Data: <&#160;x* &#135;           > A0 78 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002871D2A78A0, 992 bytes long.
 Data: <&#176;p* &#135;     * &#135;   > B0 70 2A 1D 87 02 00 00 20 11 2A 1D 87 02 00 00 
{95} normal block at 0x000002871D2A0EE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002871D2A0560, 16 bytes long.
 Data: <&#208;d* &#135;           > D0 64 2A 1D 87 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002871D2A64D0, 40 bytes long.
 Data: <` * &#135;   &#224; * &#135;   > 60 05 2A 1D 87 02 00 00 E0 0E 2A 1D 87 02 00 00 
{72} normal block at 0x000002871D2A05B0, 16 bytes long.
 Data: < &#234;7&#255;&#247;           > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002871D2A0D30, 16 bytes long.
 Data: <@&#233;7&#255;&#247;           > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002871D29FF20, 16 bytes long.
 Data: <&#248;W4&#255;&#247;           > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002871D2A0AB0, 16 bytes long.
 Data: <&#216;W4&#255;&#247;           > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002871D2A0CE0, 16 bytes long.
 Data: <P 4&#255;&#247;           > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002871D2A0290, 16 bytes long.
 Data: <0 4&#255;&#247;           > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002871D2A09C0, 16 bytes long.
 Data: <&#224; 4&#255;&#247;           > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002871D2A0B00, 16 bytes long.
 Data: <  4&#255;&#247;           > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002871D2A0740, 16 bytes long.
 Data: <p 4&#255;&#247;           > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002871D2A0100, 16 bytes long.
 Data: < &#192;2&#255;&#247;           > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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