Task 38696370

Name test_380-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5402_1
Workunit 31621809
Created 31 Oct 2026, 22:40:23 UTC
Sent 31 Oct 2026, 22:40:25 UTC
Report deadline 5 Nov 2026, 22:40:25 UTC
Received 31 Oct 2026, 23:30:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 554391
Run time 47 min 37 sec
CPU time 45 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,464.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.78 MB
Peak swap size 5.24 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:41:57 (31480): wrapper (7.9.26016): starting
23:41:57 (31480): 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
23:41:59 (31480): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:41:59 (31480): 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
00:28:15 (31480): C:/Windows/system32/cmd.exe exited; CPU time 2743.390625
00:28:15 (31480): 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: 58592459 bytes.
Dumping objects ->
{3835265} normal block at 0x0000019A712F0990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000019A712F13A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000019A712F0FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000019A712F0B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000019A712F16B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000019A713E88B0, 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) : {3835177} normal block at 0x0000019A6F84EEF0, 8 bytes long.
 Data: <  &#209;o&#154;   > 00 00 D1 6F 9A 01 00 00 
{3833979} normal block at 0x0000019A6F84EA90, 8 bytes long.
 Data: < &#234;&#146;o&#154;   > 90 EA 92 6F 9A 01 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x0000019A6F853350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000019A6F83F9E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x0000019A6F857830, 16 bytes long.
 Data: <H~&#133;o&#154;           > 48 7E 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000019A6F8570B0, 16 bytes long.
 Data: < ~&#133;o&#154;           > 20 7E 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000019A6F850EF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x0000019A6F857010, 16 bytes long.
 Data: <&#248;}&#133;o&#154;           > F8 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000019A6F857060, 16 bytes long.
 Data: <&#208;}&#133;o&#154;           > D0 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000019A6F8576F0, 16 bytes long.
 Data: <&#168;}&#133;o&#154;           > A8 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019A6F857790, 16 bytes long.
 Data: < }&#133;o&#154;           > 80 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019A6F852410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x0000019A6F856C00, 16 bytes long.
 Data: <&#168; &#132;o&#154;           > A8 0F 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019A6F850DD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x0000019A6F856BB0, 16 bytes long.
 Data: <  &#132;o&#154;           > 80 0F 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019A6F856ED0, 16 bytes long.
 Data: <X &#132;o&#154;           > 58 0F 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019A6F857240, 16 bytes long.
 Data: <0 &#132;o&#154;           > 30 0F 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019A6F857560, 16 bytes long.
 Data: <  &#132;o&#154;           > 08 0F 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019A6F8571F0, 16 bytes long.
 Data: <&#224; &#132;o&#154;           > E0 0E 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019A6F856D90, 16 bytes long.
 Data: <&#184; &#132;o&#154;           > B8 0E 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019A6F851C70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x0000019A6F857970, 16 bytes long.
 Data: <  &#132;o&#154;           > 90 0E 84 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019A6F840E90, 320 bytes long.
 Data: <py&#133;o&#154;   p &#133;o&#154;   > 70 79 85 6F 9A 01 00 00 70 1C 85 6F 9A 01 00 00 
{285} normal block at 0x0000019A6F856CF0, 16 bytes long.
 Data: <`}&#133;o&#154;           > 60 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019A6F857920, 16 bytes long.
 Data: <8}&#133;o&#154;           > 38 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019A6F850D70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x0000019A6F8571A0, 16 bytes long.
 Data: < }&#133;o&#154;           > 10 7D 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019A6F851670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x0000019A6F856E30, 16 bytes long.
 Data: <X|&#133;o&#154;           > 58 7C 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019A6F857A60, 16 bytes long.
 Data: <0|&#133;o&#154;           > 30 7C 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019A6F857380, 16 bytes long.
 Data: < |&#133;o&#154;           > 08 7C 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019A6F857290, 16 bytes long.
 Data: <&#224;{&#133;o&#154;           > E0 7B 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019A6F856B60, 16 bytes long.
 Data: <&#184;{&#133;o&#154;           > B8 7B 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019A6F857AB0, 16 bytes long.
 Data: < {&#133;o&#154;           > 90 7B 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019A6F857510, 16 bytes long.
 Data: < !&#133;o&#154;           > 00 21 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019A6F852100, 40 bytes long.
 Data: < u&#133;o&#154;   &#176; >q&#154;   > 10 75 85 6F 9A 01 00 00 B0 88 3E 71 9A 01 00 00 
{271} normal block at 0x0000019A6F857470, 16 bytes long.
 Data: <p{&#133;o&#154;           > 70 7B 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019A6F8576A0, 16 bytes long.
 Data: <H{&#133;o&#154;           > 48 7B 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019A6F851AF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x0000019A6F856FC0, 16 bytes long.
 Data: < {&#133;o&#154;           > 20 7B 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019A6F857B20, 992 bytes long.
 Data: <&#192;o&#133;o&#154;   &#240; &#133;o&#154;   > C0 6F 85 6F 9A 01 00 00 F0 1A 85 6F 9A 01 00 00 
{103} normal block at 0x0000019A6F8514F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x0000019A6F84EC70, 16 bytes long.
 Data: <&#160;#&#133;o&#154;           > A0 23 85 6F 9A 01 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000019A6F8523A0, 40 bytes long.
 Data: <p&#236;&#132;o&#154;   &#240; &#133;o&#154;   > 70 EC 84 6F 9A 01 00 00 F0 14 85 6F 9A 01 00 00 
{80} normal block at 0x0000019A6F84E630, 16 bytes long.
 Data: < &#234;&#163;&#254;&#247;           > 80 EA A3 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000019A6F84F080, 16 bytes long.
 Data: <@&#233;&#163;&#254;&#247;           > 40 E9 A3 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000019A6F84E810, 16 bytes long.
 Data: <&#248;W&#160;&#254;&#247;           > F8 57 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000019A6F84E5E0, 16 bytes long.
 Data: <&#216;W&#160;&#254;&#247;           > D8 57 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000019A6F84E220, 16 bytes long.
 Data: <P &#160;&#254;&#247;           > 50 04 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000019A6F84E900, 16 bytes long.
 Data: <0 &#160;&#254;&#247;           > 30 04 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019A6F84E590, 16 bytes long.
 Data: <&#224; &#160;&#254;&#247;           > E0 02 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000019A6F84EEA0, 16 bytes long.
 Data: <  &#160;&#254;&#247;           > 10 04 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019A6F84EB80, 16 bytes long.
 Data: <p &#160;&#254;&#247;           > 70 04 A0 FE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019A6F84F030, 16 bytes long.
 Data: < &#192;&#158;&#254;&#247;           > 18 C0 9E FE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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