Task 38683323

Name test_476-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4882_0
Workunit 31624894
Created 27 Oct 2026, 11:23:37 UTC
Sent 27 Oct 2026, 11:23:43 UTC
Report deadline 1 Nov 2026, 11:23:43 UTC
Received 27 Oct 2026, 13:32:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 2 min 12 sec
CPU time 57 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.69 MB
Peak swap size 2.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:31:40 (29024): wrapper (7.9.26016): starting
14:31:40 (29024): 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
14:31:42 (29024): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:31:42 (29024): 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\8\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\8\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
15:31:45 (29024): C:/Windows/system32/cmd.exe exited; CPU time 3441.531250
15:31:45 (29024): 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: 56372601 bytes.
Dumping objects ->
{3835257} normal block at 0x000001ACEE5F0DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001ACEE5F0BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001ACEE5F0A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x000001ACEE5F08B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001ACEE5F0840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000001ACEE6EC8D0, 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) : {3835169} normal block at 0x000001ACECBA76A0, 8 bytes long.
 Data: <  &#181;&#236;&#172;   > 00 00 B5 EC AC 01 00 00 
{3833951} normal block at 0x000001ACECBA7600, 8 bytes long.
 Data: <&#240;&#214; &#238;&#172;   > F0 D6 7F EE AC 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001ACECBB1C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ACECB96120, 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 0x000001ACECBB2C80, 16 bytes long.
 Data: < A&#187;&#236;&#172;           > 88 41 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ACECBB3090, 16 bytes long.
 Data: <`A&#187;&#236;&#172;           > 60 41 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ACECBAC150, 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 0x000001ACECBB3810, 16 bytes long.
 Data: <8A&#187;&#236;&#172;           > 38 41 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ACECBB3360, 16 bytes long.
 Data: < A&#187;&#236;&#172;           > 10 41 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ACECBB35E0, 16 bytes long.
 Data: <&#232;@&#187;&#236;&#172;           > E8 40 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ACECBB3400, 16 bytes long.
 Data: <&#192;@&#187;&#236;&#172;           > C0 40 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ACECBADE50, 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 0x000001ACECBB3220, 16 bytes long.
 Data: <&#184;`&#185;&#236;&#172;           > B8 60 B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ACECBAC030, 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 0x000001ACECBB3040, 16 bytes long.
 Data: < `&#185;&#236;&#172;           > 90 60 B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ACECBB2D20, 16 bytes long.
 Data: <h`&#185;&#236;&#172;           > 68 60 B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ACECBB32C0, 16 bytes long.
 Data: <@`&#185;&#236;&#172;           > 40 60 B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ACECBB3540, 16 bytes long.
 Data: < `&#185;&#236;&#172;           > 18 60 B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ACECBB2BE0, 16 bytes long.
 Data: <&#240;_&#185;&#236;&#172;           > F0 5F B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ACECBB3590, 16 bytes long.
 Data: <&#200;_&#185;&#236;&#172;           > C8 5F B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ACECBAC3F0, 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 0x000001ACECBB3180, 16 bytes long.
 Data: <&#160;_&#185;&#236;&#172;           > A0 5F B9 EC AC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ACECB95FA0, 320 bytes long.
 Data: < 1&#187;&#236;&#172;   &#240;&#195;&#186;&#236;&#172;   > 80 31 BB EC AC 01 00 00 F0 C3 BA EC AC 01 00 00 
{271} normal block at 0x000001ACECBB3130, 16 bytes long.
 Data: <&#160;@&#187;&#236;&#172;           > A0 40 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ACECBB39F0, 16 bytes long.
 Data: <x@&#187;&#236;&#172;           > 78 40 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ACECBAB970, 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 0x000001ACECBB34F0, 16 bytes long.
 Data: <P@&#187;&#236;&#172;           > 50 40 BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ACECBABF70, 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 0x000001ACECBB2B90, 16 bytes long.
 Data: < ?&#187;&#236;&#172;           > 98 3F BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ACECBB2FA0, 16 bytes long.
 Data: <p?&#187;&#236;&#172;           > 70 3F BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ACECBB3270, 16 bytes long.
 Data: <H?&#187;&#236;&#172;           > 48 3F BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ACECBB38B0, 16 bytes long.
 Data: < ?&#187;&#236;&#172;           > 20 3F BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ACECBB2B40, 16 bytes long.
 Data: <&#248;>&#187;&#236;&#172;           > F8 3E BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ACECBB31D0, 16 bytes long.
 Data: <&#208;>&#187;&#236;&#172;           > D0 3E BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ACECBB39A0, 16 bytes long.
 Data: < &#221;&#186;&#236;&#172;           > 00 DD BA EC AC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ACECBADD00, 40 bytes long.
 Data: <&#160;9&#187;&#236;&#172;   &#208;&#200;n&#238;&#172;   > A0 39 BB EC AC 01 00 00 D0 C8 6E EE AC 01 00 00 
{257} normal block at 0x000001ACECBB3450, 16 bytes long.
 Data: <&#176;>&#187;&#236;&#172;           > B0 3E BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ACECBB33B0, 16 bytes long.
 Data: < >&#187;&#236;&#172;           > 88 3E BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001ACECBAC690, 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 0x000001ACECBB2CD0, 16 bytes long.
 Data: <`>&#187;&#236;&#172;           > 60 3E BB EC AC 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001ACECBB3E60, 992 bytes long.
 Data: <&#208;,&#187;&#236;&#172;    &#198;&#186;&#236;&#172;   > D0 2C BB EC AC 01 00 00 90 C6 BA EC AC 01 00 00 
{89} normal block at 0x000001ACECBAC510, 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 0x000001ACECBA7100, 16 bytes long.
 Data: < &#220;&#186;&#236;&#172;           > 90 DC BA EC AC 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001ACECBADC90, 40 bytes long.
 Data: < q&#186;&#236;&#172;    &#197;&#186;&#236;&#172;   > 00 71 BA EC AC 01 00 00 10 C5 BA EC AC 01 00 00 
{66} normal block at 0x000001ACECBA70B0, 16 bytes long.
 Data: < &#234;(h&#247;           > 80 EA 28 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ACECBA6ED0, 16 bytes long.
 Data: <@&#233;(h&#247;           > 40 E9 28 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ACECBA7830, 16 bytes long.
 Data: <&#248;W%h&#247;           > F8 57 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ACECBA6E80, 16 bytes long.
 Data: <&#216;W%h&#247;           > D8 57 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ACECBA6AC0, 16 bytes long.
 Data: <P %h&#247;           > 50 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ACECBA7650, 16 bytes long.
 Data: <0 %h&#247;           > 30 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ACECBA7510, 16 bytes long.
 Data: <&#224; %h&#247;           > E0 02 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ACECBA6DE0, 16 bytes long.
 Data: <  %h&#247;           > 10 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ACECBA71A0, 16 bytes long.
 Data: <p %h&#247;           > 70 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ACECBA7880, 16 bytes long.
 Data: < &#192;#h&#247;           > 18 C0 23 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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