Task 38677654

Name test_582-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2462_0
Workunit 31619518
Created 26 Oct 2026, 14:59:12 UTC
Sent 26 Oct 2026, 14:59:18 UTC
Report deadline 31 Oct 2026, 14:59:18 UTC
Received 26 Oct 2026, 16:07:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 24 min 6 sec
CPU time 19 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.29 MB
Peak swap size 8.61 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:44:47 (31612): wrapper (7.9.26016): starting
16:44:47 (31612): 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
16:44:48 (31612): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:44:48 (31612): 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
17:07:30 (31612): C:/Windows/system32/cmd.exe exited; CPU time 1192.968750
17:07:30 (31612): 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: 29813449 bytes.
Dumping objects ->
{3835219} normal block at 0x0000025DAD9CDF80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000025DAD9CDCE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000025DAD9CD880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000025DAD9CDAB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000025DABCC5280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000025DADA18800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000025DADA2F700, 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) : {3835130} normal block at 0x0000025DABCBE1B0, 8 bytes long.
 Data: <  &#196;&#171;]   > 00 00 C4 AB 5D 02 00 00 
{3834536} normal block at 0x0000025DADA2F5A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000025DABCBE430, 8 bytes long.
 Data: <0I&#204;&#171;]   > 30 49 CC AB 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025DABCC2550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025DABCB6250, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000025DABCC65A0, 16 bytes long.
 Data: < p&#204;&#171;]           > 18 70 CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025DABCC62D0, 16 bytes long.
 Data: <&#240;o&#204;&#171;]           > F0 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025DABCC0300, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000025DABCC6A50, 16 bytes long.
 Data: <&#200;o&#204;&#171;]           > C8 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025DABCC5E70, 16 bytes long.
 Data: <&#160;o&#204;&#171;]           > A0 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025DABCC6780, 16 bytes long.
 Data: <xo&#204;&#171;]           > 78 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025DABCC6AF0, 16 bytes long.
 Data: <Po&#204;&#171;]           > 50 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025DABCC5590, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000025DABCC60A0, 16 bytes long.
 Data: <&#248; &#203;&#171;]           > F8 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025DABCBFBE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000025DABCC6AA0, 16 bytes long.
 Data: <&#208; &#203;&#171;]           > D0 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025DABCC6410, 16 bytes long.
 Data: <&#168; &#203;&#171;]           > A8 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025DABCC6280, 16 bytes long.
 Data: <  &#203;&#171;]           > 80 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025DABCC6050, 16 bytes long.
 Data: <X &#203;&#171;]           > 58 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025DABCC6B40, 16 bytes long.
 Data: <0 &#203;&#171;]           > 30 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025DABCC6960, 16 bytes long.
 Data: <  &#203;&#171;]           > 08 8D CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025DABCBFD60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000025DABCC5E20, 16 bytes long.
 Data: <&#224;&#140;&#203;&#171;]           > E0 8C CB AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025DABCB8CE0, 320 bytes long.
 Data: < ^&#204;&#171;]   `&#253;&#203;&#171;]   > 20 5E CC AB 5D 02 00 00 60 FD CB AB 5D 02 00 00 
{276} normal block at 0x0000025DABCC6690, 16 bytes long.
 Data: <0o&#204;&#171;]           > 30 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025DABCC6A00, 16 bytes long.
 Data: < o&#204;&#171;]           > 08 6F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025DABCBFA60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000025DABCC6820, 16 bytes long.
 Data: <&#224;n&#204;&#171;]           > E0 6E CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025DABCBFCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000025DABCC6550, 16 bytes long.
 Data: <(n&#204;&#171;]           > 28 6E CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025DABCC63C0, 16 bytes long.
 Data: < n&#204;&#171;]           > 00 6E CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025DABCC5EC0, 16 bytes long.
 Data: <&#216;m&#204;&#171;]           > D8 6D CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025DABCC69B0, 16 bytes long.
 Data: <&#176;m&#204;&#171;]           > B0 6D CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025DABCC67D0, 16 bytes long.
 Data: < m&#204;&#171;]           > 88 6D CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025DABCC6730, 16 bytes long.
 Data: <`m&#204;&#171;]           > 60 6D CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025DABCC64B0, 16 bytes long.
 Data: <PP&#204;&#171;]           > 50 50 CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025DABCC5050, 40 bytes long.
 Data: <&#176;d&#204;&#171;]     &#161;&#173;]   > B0 64 CC AB 5D 02 00 00 00 88 A1 AD 5D 02 00 00 
{262} normal block at 0x0000025DABCC61E0, 16 bytes long.
 Data: <@m&#204;&#171;]           > 40 6D CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025DABCC60F0, 16 bytes long.
 Data: < m&#204;&#171;]           > 18 6D CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025DABCBFE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000025DABCC6460, 16 bytes long.
 Data: <&#240;l&#204;&#171;]           > F0 6C CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025DABCC6CF0, 992 bytes long.
 Data: <`d&#204;&#171;]    &#254;&#203;&#171;]   > 60 64 CC AB 5D 02 00 00 80 FE CB AB 5D 02 00 00 
{94} normal block at 0x0000025DABCBFB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000025DABCBE3E0, 16 bytes long.
 Data: <pO&#204;&#171;]           > 70 4F CC AB 5D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025DABCC4F70, 40 bytes long.
 Data: <&#224;&#227;&#203;&#171;]    &#251;&#203;&#171;]   > E0 E3 CB AB 5D 02 00 00 80 FB CB AB 5D 02 00 00 
{71} normal block at 0x0000025DABCBD8F0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025DABCBDBC0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025DABCBE340, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025DABCBE2F0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025DABCBE160, 16 bytes long.
 Data: <P   &#247;           > 50 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025DABCBDE90, 16 bytes long.
 Data: <0   &#247;           > 30 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025DABCBE480, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025DABCBD8A0, 16 bytes long.
 Data: <    &#247;           > 10 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025DABCBE5C0, 16 bytes long.
 Data: <p   &#247;           > 70 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025DABCBDEE0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 13 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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