Task 38697363

Name test_519-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3095_0
Workunit 31637945
Created 1 Nov 2026, 13:20:13 UTC
Sent 1 Nov 2026, 13:20:15 UTC
Report deadline 6 Nov 2026, 13:20:15 UTC
Received 1 Nov 2026, 16:01:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 15 sec
CPU time 52 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.91 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
15:01:36 (10672): wrapper (7.9.26016): starting
15:01:36 (10672): 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
15:01:37 (10672): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:01:37 (10672): 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 'D:\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 'D:\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
15:54:12 (10672): C:/Windows/system32/cmd.exe exited; CPU time 3129.640625
15:54:12 (10672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 37286831 bytes.
Dumping objects ->
{3835313} normal block at 0x0000027AE1A4BBA0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x0000027AE1A4BC80, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000027AE1A4C850, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x0000027ADFF2B2D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000027ADFF2B110, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x0000027AE1A8ADA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000027ADFF28DA0, 200 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) : {3835224} normal block at 0x0000027ADFF26830, 8 bytes long.
 Data: <  &#191;&#225;z   > 00 00 BF E1 7A 02 00 00 
{3834581} normal block at 0x0000027ADFF29730, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000027ADFF263D0, 8 bytes long.
 Data: <`U&#187;&#225;z   > 60 55 BB E1 7A 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000027ADFF30C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027ADFF15C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000027ADFF32AC0, 16 bytes long.
 Data: <X2&#243;&#223;z           > 58 32 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027ADFF31E90, 16 bytes long.
 Data: <02&#243;&#223;z           > 30 32 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027ADFF2C680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000027ADFF32A70, 16 bytes long.
 Data: < 2&#243;&#223;z           > 08 32 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027ADFF32750, 16 bytes long.
 Data: <&#224;1&#243;&#223;z           > E0 31 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027ADFF326B0, 16 bytes long.
 Data: <&#184;1&#243;&#223;z           > B8 31 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027ADFF32660, 16 bytes long.
 Data: < 1&#243;&#223;z           > 90 31 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027ADFF2AEE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000027ADFF323E0, 16 bytes long.
 Data: <&#232;[&#241;&#223;z           > E8 5B F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027ADFF2CD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000027ADFF327A0, 16 bytes long.
 Data: <&#192;[&#241;&#223;z           > C0 5B F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027ADFF327F0, 16 bytes long.
 Data: < [&#241;&#223;z           > 98 5B F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027ADFF32020, 16 bytes long.
 Data: <p[&#241;&#223;z           > 70 5B F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027ADFF32390, 16 bytes long.
 Data: <H[&#241;&#223;z           > 48 5B F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027ADFF32480, 16 bytes long.
 Data: < [&#241;&#223;z           > 20 5B F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027ADFF31BC0, 16 bytes long.
 Data: <&#248;Z&#241;&#223;z           > F8 5A F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027ADFF2C740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000027ADFF31D50, 16 bytes long.
 Data: <&#208;Z&#241;&#223;z           > D0 5A F1 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027ADFF15AD0, 320 bytes long.
 Data: <P &#243;&#223;z   @&#199;&#242;&#223;z   > 50 1D F3 DF 7A 02 00 00 40 C7 F2 DF 7A 02 00 00 
{269} normal block at 0x0000027ADFF329D0, 16 bytes long.
 Data: <p1&#243;&#223;z           > 70 31 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027ADFF32700, 16 bytes long.
 Data: <H1&#243;&#223;z           > 48 31 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027ADFF2C260, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000027ADFF31B70, 16 bytes long.
 Data: < 1&#243;&#223;z           > 20 31 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027ADFF2C800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000027ADFF31CB0, 16 bytes long.
 Data: <h0&#243;&#223;z           > 68 30 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027ADFF32A20, 16 bytes long.
 Data: <@0&#243;&#223;z           > 40 30 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027ADFF32980, 16 bytes long.
 Data: < 0&#243;&#223;z           > 18 30 F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027ADFF31F80, 16 bytes long.
 Data: <&#240;/&#243;&#223;z           > F0 2F F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027ADFF31C60, 16 bytes long.
 Data: <&#200;/&#243;&#223;z           > C8 2F F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027ADFF32930, 16 bytes long.
 Data: <&#160;/&#243;&#223;z           > A0 2F F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027ADFF322F0, 16 bytes long.
 Data: < &#174;&#242;&#223;z           > 00 AE F2 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027ADFF2AE00, 40 bytes long.
 Data: <&#240;"&#243;&#223;z   &#160;&#173;&#168;&#225;z   > F0 22 F3 DF 7A 02 00 00 A0 AD A8 E1 7A 02 00 00 
{255} normal block at 0x0000027ADFF32160, 16 bytes long.
 Data: < /&#243;&#223;z           > 80 2F F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027ADFF32570, 16 bytes long.
 Data: <X/&#243;&#223;z           > 58 2F F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027ADFF2C6E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000027ADFF32520, 16 bytes long.
 Data: <0/&#243;&#223;z           > 30 2F F3 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000027ADFF32F30, 992 bytes long.
 Data: < %&#243;&#223;z   &#224;&#198;&#242;&#223;z   > 20 25 F3 DF 7A 02 00 00 E0 C6 F2 DF 7A 02 00 00 
{87} normal block at 0x0000027ADFF2C5C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000027ADFF25F70, 16 bytes long.
 Data: <@&#179;&#242;&#223;z           > 40 B3 F2 DF 7A 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000027ADFF2B340, 40 bytes long.
 Data: <p_&#242;&#223;z   &#192;&#197;&#242;&#223;z   > 70 5F F2 DF 7A 02 00 00 C0 C5 F2 DF 7A 02 00 00 
{64} normal block at 0x0000027ADFF265B0, 16 bytes long.
 Data: < &#234;Z&#227;&#246;           > 80 EA 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027ADFF266A0, 16 bytes long.
 Data: <@&#233;Z&#227;&#246;           > 40 E9 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027ADFF26420, 16 bytes long.
 Data: <&#248;WW&#227;&#246;           > F8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027ADFF26330, 16 bytes long.
 Data: <&#216;WW&#227;&#246;           > D8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027ADFF26560, 16 bytes long.
 Data: <P W&#227;&#246;           > 50 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027ADFF26E70, 16 bytes long.
 Data: <0 W&#227;&#246;           > 30 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027ADFF26920, 16 bytes long.
 Data: <&#224; W&#227;&#246;           > E0 02 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027ADFF26510, 16 bytes long.
 Data: <  W&#227;&#246;           > 10 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027ADFF26380, 16 bytes long.
 Data: <p W&#227;&#246;           > 70 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000027ADFF26150, 16 bytes long.
 Data: < &#192;U&#227;&#246;           > 18 C0 55 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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