Task 38684086

Name test_651-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8236_0
Workunit 31625611
Created 27 Oct 2026, 14:38:59 UTC
Sent 27 Oct 2026, 14:39:03 UTC
Report deadline 1 Nov 2026, 14:39:03 UTC
Received 27 Oct 2026, 17:50:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 36 min 56 sec
CPU time 34 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.74 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
18:14:30 (6504): wrapper (7.9.26016): starting
18:14:30 (6504): 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
18:14:31 (6504): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:14:31 (6504): 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\6\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\6\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
18:49:51 (6504): C:/Windows/system32/cmd.exe exited; CPU time 2088.171875
18:49:51 (6504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 36264847 bytes.
Dumping objects ->
{3835240} normal block at 0x0000023B24E25140, 48 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 0x0000023B24E250D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000023B24E24FF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000023B24E24F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000023B24E24EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000023B26A46380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000023B24E7E7F0, 144 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) : {3835151} normal block at 0x0000023B24E1F050, 8 bytes long.
 Data: <   %;   > 00 00 1A 25 3B 02 00 00 
{3834552} normal block at 0x0000023B24E7DAF0, 144 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 0x0000023B24E1E8D0, 8 bytes long.
 Data: < &#235;&#239;$;   > 80 EB EF 24 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023B24E21830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023B24E15C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000023B24E26550, 16 bytes long.
 Data: <&#200;l&#226;$;           > C8 6C E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023B24E26410, 16 bytes long.
 Data: <&#160;l&#226;$;           > A0 6C E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023B24E1FC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000023B24E25F60, 16 bytes long.
 Data: <xl&#226;$;           > 78 6C E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023B24E25880, 16 bytes long.
 Data: <Pl&#226;$;           > 50 6C E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B24E25830, 16 bytes long.
 Data: <(l&#226;$;           > 28 6C E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023B24E26050, 16 bytes long.
 Data: < l&#226;$;           > 00 6C E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023B24E24DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000023B24E26320, 16 bytes long.
 Data: <&#232;K&#226;$;           > E8 4B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023B24E20500, 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 0x0000023B24E25A60, 16 bytes long.
 Data: <&#192;K&#226;$;           > C0 4B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B24E25920, 16 bytes long.
 Data: < K&#226;$;           > 98 4B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B24E266E0, 16 bytes long.
 Data: <pK&#226;$;           > 70 4B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023B24E25D80, 16 bytes long.
 Data: <HK&#226;$;           > 48 4B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B24E25AB0, 16 bytes long.
 Data: < K&#226;$;           > 20 4B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023B24E264B0, 16 bytes long.
 Data: <&#248;J&#226;$;           > F8 4A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023B24E20380, 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 0x0000023B24E25CE0, 16 bytes long.
 Data: <&#208;J&#226;$;           > D0 4A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023B24E24AD0, 320 bytes long.
 Data: <&#224;\&#226;$;     &#226;$;   > E0 5C E2 24 3B 02 00 00 80 03 E2 24 3B 02 00 00 
{274} normal block at 0x0000023B24E25D30, 16 bytes long.
 Data: <&#224;k&#226;$;           > E0 6B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023B24E26460, 16 bytes long.
 Data: <&#184;k&#226;$;           > B8 6B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B24E20320, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000023B24E26780, 16 bytes long.
 Data: < k&#226;$;           > 90 6B E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B24E20020, 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 0x0000023B24E258D0, 16 bytes long.
 Data: <&#216;j&#226;$;           > D8 6A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B24E263C0, 16 bytes long.
 Data: <&#176;j&#226;$;           > B0 6A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B24E26370, 16 bytes long.
 Data: < j&#226;$;           > 88 6A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023B24E261E0, 16 bytes long.
 Data: <`j&#226;$;           > 60 6A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B24E25DD0, 16 bytes long.
 Data: <8j&#226;$;           > 38 6A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023B24E26640, 16 bytes long.
 Data: < j&#226;$;           > 10 6A E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B24E25BF0, 16 bytes long.
 Data: <PT&#226;$;           > 50 54 E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023B24E25450, 40 bytes long.
 Data: <&#240;[&#226;$;    c&#164;&;   > F0 5B E2 24 3B 02 00 00 80 63 A4 26 3B 02 00 00 
{260} normal block at 0x0000023B24E26000, 16 bytes long.
 Data: <&#240;i&#226;$;           > F0 69 E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023B24E25A10, 16 bytes long.
 Data: <&#200;i&#226;$;           > C8 69 E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023B24E1FA20, 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 0x0000023B24E26500, 16 bytes long.
 Data: <&#160;i&#226;$;           > A0 69 E2 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023B24E269A0, 992 bytes long.
 Data: < e&#226;$;    &#250;&#225;$;   > 00 65 E2 24 3B 02 00 00 20 FA E1 24 3B 02 00 00 
{92} normal block at 0x0000023B24E1F960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000023B24E1F370, 16 bytes long.
 Data: < &#225;&#224;$;           > 80 E1 E0 24 3B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000023B24E0E180, 40 bytes long.
 Data: <p&#243;&#225;$;   `&#249;&#225;$;   > 70 F3 E1 24 3B 02 00 00 60 F9 E1 24 3B 02 00 00 
{69} normal block at 0x0000023B24E1EB00, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B24E1EA60, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B24E1EEC0, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B24E1F460, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023B24E1EC90, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023B24E1E6F0, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023B24E1EB50, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023B24E1EE70, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023B24E1F4B0, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023B24E1F2D0, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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