Task 38668386

Name test_600-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7740_0
Workunit 31610918
Created 25 Oct 2026, 11:35:44 UTC
Sent 25 Oct 2026, 11:36:01 UTC
Report deadline 30 Oct 2026, 11:36:01 UTC
Received 26 Oct 2026, 3:39:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628119
Run time 34 min 42 sec
CPU time 32 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.84 MB
Peak swap size 12.94 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:03:24 (32192): wrapper (7.9.26016): starting
22:03:24 (32192): 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
22:03:28 (32192): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:03:28 (32192): 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\26\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\26\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
22:36:26 (32192): C:/Windows/system32/cmd.exe exited; CPU time 1924.375000
22:36:26 (32192): 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: 61238047 bytes.
Dumping objects ->
{3835488} normal block at 0x000002495E67E9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x000002495E67E430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000002495E67F150, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835455} normal block at 0x000002495C9D5820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x000002495C9D57B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835413} normal block at 0x000002495E6CBB10, 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) : {3835400} normal block at 0x000002495C9D0BE0, 8 bytes long.
 Data: <  &#236;\I   > 00 00 EC 5C 49 02 00 00 
{3833967} normal block at 0x000002495C9D0B40, 8 bytes long.
 Data: <0Mu^I   > 30 4D 75 5E 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002495C9D26E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002495C9C70D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002495C9D6E40, 16 bytes long.
 Data: <8v \I           > 38 76 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002495C9D6490, 16 bytes long.
 Data: < v \I           > 10 76 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002495C9CE460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002495C9D7250, 16 bytes long.
 Data: <&#232;u \I           > E8 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002495C9D6C10, 16 bytes long.
 Data: <&#192;u \I           > C0 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002495C9D7160, 16 bytes long.
 Data: < u \I           > 98 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002495C9D6670, 16 bytes long.
 Data: <pu \I           > 70 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002495C9D59E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002495C9D7200, 16 bytes long.
 Data: <&#232;&#251;&#155;\I           > E8 FB 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002495C9CE400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002495C9D6DF0, 16 bytes long.
 Data: <&#192;&#251;&#155;\I           > C0 FB 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002495C9D6EE0, 16 bytes long.
 Data: < &#251;&#155;\I           > 98 FB 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002495C9D6710, 16 bytes long.
 Data: <p&#251;&#155;\I           > 70 FB 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002495C9D6DA0, 16 bytes long.
 Data: <H&#251;&#155;\I           > 48 FB 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002495C9D72A0, 16 bytes long.
 Data: < &#251;&#155;\I           > 20 FB 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002495C9D6F80, 16 bytes long.
 Data: <&#248;&#250;&#155;\I           > F8 FA 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002495C9CEC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002495C9D7070, 16 bytes long.
 Data: <&#208;&#250;&#155;\I           > D0 FA 9B 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002495C9BFAD0, 320 bytes long.
 Data: <pp \I   @&#236;&#156;\I   > 70 70 9D 5C 49 02 00 00 40 EC 9C 5C 49 02 00 00 
{279} normal block at 0x000002495C9D6A30, 16 bytes long.
 Data: <Pu \I           > 50 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002495C9D6F30, 16 bytes long.
 Data: <(u \I           > 28 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002495C9CE580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002495C9D7020, 16 bytes long.
 Data: < u \I           > 00 75 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002495C9CEEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002495C9D71B0, 16 bytes long.
 Data: <Ht \I           > 48 74 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002495C9D70C0, 16 bytes long.
 Data: < t \I           > 20 74 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002495C9D6850, 16 bytes long.
 Data: <&#248;s \I           > F8 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002495C9D6E90, 16 bytes long.
 Data: <&#208;s \I           > D0 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002495C9D65D0, 16 bytes long.
 Data: <&#168;s \I           > A8 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002495C9D7110, 16 bytes long.
 Data: < s \I           > 80 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002495C9D6530, 16 bytes long.
 Data: <PZ \I           > 50 5A 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002495C9D5A50, 40 bytes long.
 Data: <0e \I    &#187;l^I   > 30 65 9D 5C 49 02 00 00 10 BB 6C 5E 49 02 00 00 
{265} normal block at 0x000002495C9D6BC0, 16 bytes long.
 Data: <`s \I           > 60 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002495C9D6800, 16 bytes long.
 Data: <8s \I           > 38 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002495C9CE820, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002495C9D68F0, 16 bytes long.
 Data: < s \I           > 10 73 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002495C9D7310, 992 bytes long.
 Data: <&#240;h \I    &#232;&#156;\I   > F0 68 9D 5C 49 02 00 00 20 E8 9C 5C 49 02 00 00 
{97} normal block at 0x000002495C9CEB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002495C9D0AF0, 16 bytes long.
 Data: < X \I           > 90 58 9D 5C 49 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002495C9D5890, 40 bytes long.
 Data: <&#240;  \I    &#235;&#156;\I   > F0 0A 9D 5C 49 02 00 00 80 EB 9C 5C 49 02 00 00 
{74} normal block at 0x000002495C9D0AA0, 16 bytes long.
 Data: < &#234;x&#132;&#247;           > 80 EA 78 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002495C9D0CD0, 16 bytes long.
 Data: <@&#233;x&#132;&#247;           > 40 E9 78 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002495C9D0E10, 16 bytes long.
 Data: <&#248;Wu&#132;&#247;           > F8 57 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002495C9D08C0, 16 bytes long.
 Data: <&#216;Wu&#132;&#247;           > D8 57 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002495C9D09B0, 16 bytes long.
 Data: <P u&#132;&#247;           > 50 04 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002495C9D0820, 16 bytes long.
 Data: <0 u&#132;&#247;           > 30 04 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002495C9D0870, 16 bytes long.
 Data: <&#224; u&#132;&#247;           > E0 02 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002495C9D0E60, 16 bytes long.
 Data: <  u&#132;&#247;           > 10 04 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002495C9D0A00, 16 bytes long.
 Data: <p u&#132;&#247;           > 70 04 75 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002495C9D0B90, 16 bytes long.
 Data: < &#192;s&#132;&#247;           > 18 C0 73 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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