Task 38678219

Name test_573-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0050_0
Workunit 31620049
Created 26 Oct 2026, 16:44:33 UTC
Sent 26 Oct 2026, 16:44:39 UTC
Report deadline 31 Oct 2026, 16:44:39 UTC
Received 26 Oct 2026, 17:57:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 40 min 7 sec
CPU time 40 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.29 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:12:13 (42352): wrapper (7.9.26016): starting
13:12:13 (42352): 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
13:12:41 (42352): Library/usr/bin/tar.exe exited; CPU time 0.203125
13:12:41 (42352): 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\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 'C:\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
13:56:58 (42352): C:/Windows/system32/cmd.exe exited; CPU time 2407.015625
13:56:58 (42352): 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: 63035287 bytes.
Dumping objects ->
{3835277} normal block at 0x000002370ABCD800, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002370ABCD2C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002370ABCD100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000002370ABCD410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002370ABCD8E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002370C8B9B40, 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) : {3835189} normal block at 0x000002370AB9C740, 8 bytes long.
 Data: <    7   > 00 00 1E 0B 37 02 00 00 
{3833987} normal block at 0x000002370AB9C8D0, 8 bytes long.
 Data: <p&#132;&#145; 7   > 70 84 91 0C 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002370ABA3E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000002370AB96A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000002370ABA97F0, 16 bytes long.
 Data: <h &#186; 7           > 68 9D BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002370ABA9250, 16 bytes long.
 Data: <@ &#186; 7           > 40 9D BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002370ABA1BA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000002370ABA9750, 16 bytes long.
 Data: <  &#186; 7           > 18 9D BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002370ABA8B70, 16 bytes long.
 Data: <&#240;&#156;&#186; 7           > F0 9C BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002370ABA94D0, 16 bytes long.
 Data: <&#200;&#156;&#186; 7           > C8 9C BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002370ABA9700, 16 bytes long.
 Data: <&#160;&#156;&#186; 7           > A0 9C BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002370ABA46B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000002370ABA91B0, 16 bytes long.
 Data: <H &#185; 7           > 48 0F B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002370ABA1D20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000002370ABA8BC0, 16 bytes long.
 Data: <  &#185; 7           > 20 0F B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002370ABA96B0, 16 bytes long.
 Data: <&#248; &#185; 7           > F8 0E B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002370ABA9660, 16 bytes long.
 Data: <&#208; &#185; 7           > D0 0E B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002370ABA9200, 16 bytes long.
 Data: <&#168; &#185; 7           > A8 0E B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002370ABA8B20, 16 bytes long.
 Data: <  &#185; 7           > 80 0E B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002370ABA8D50, 16 bytes long.
 Data: <X &#185; 7           > 58 0E B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002370ABA18A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000002370ABA8A80, 16 bytes long.
 Data: <0 &#185; 7           > 30 0E B9 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002370AB90E30, 320 bytes long.
 Data: < &#138;&#186; 7   &#160; &#186; 7   > 80 8A BA 0A 37 02 00 00 A0 18 BA 0A 37 02 00 00 
{289} normal block at 0x000002370ABA8AD0, 16 bytes long.
 Data: < &#156;&#186; 7           > 80 9C BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002370ABA8E90, 16 bytes long.
 Data: <X&#156;&#186; 7           > 58 9C BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002370ABA1840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000002370ABA9480, 16 bytes long.
 Data: <0&#156;&#186; 7           > 30 9C BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002370ABA17E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000002370ABA8E40, 16 bytes long.
 Data: <x&#155;&#186; 7           > 78 9B BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002370ABA9980, 16 bytes long.
 Data: <P&#155;&#186; 7           > 50 9B BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002370ABA8DF0, 16 bytes long.
 Data: <(&#155;&#186; 7           > 28 9B BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002370ABA9430, 16 bytes long.
 Data: < &#155;&#186; 7           > 00 9B BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002370ABA9570, 16 bytes long.
 Data: <&#216;&#154;&#186; 7           > D8 9A BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002370ABA8D00, 16 bytes long.
 Data: <&#176;&#154;&#186; 7           > B0 9A BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002370ABA8DA0, 16 bytes long.
 Data: < G&#186; 7           > 20 47 BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002370ABA4720, 40 bytes long.
 Data: <&#160; &#186; 7   @&#155;&#139; 7   > A0 8D BA 0A 37 02 00 00 40 9B 8B 0C 37 02 00 00 
{275} normal block at 0x000002370ABA97A0, 16 bytes long.
 Data: < &#154;&#186; 7           > 90 9A BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002370ABA9390, 16 bytes long.
 Data: <h&#154;&#186; 7           > 68 9A BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002370ABA1660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000002370ABA92F0, 16 bytes long.
 Data: <@&#154;&#186; 7           > 40 9A BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002370ABA9A40, 992 bytes long.
 Data: <&#240;&#146;&#186; 7   ` &#186; 7   > F0 92 BA 0A 37 02 00 00 60 16 BA 0A 37 02 00 00 
{107} normal block at 0x000002370ABA1540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000002370AB9CF60, 16 bytes long.
 Data: <0J&#186; 7           > 30 4A BA 0A 37 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000002370ABA4A30, 40 bytes long.
 Data: <`&#207;&#185; 7   @ &#186; 7   > 60 CF B9 0A 37 02 00 00 40 15 BA 0A 37 02 00 00 
{84} normal block at 0x000002370AB9D000, 16 bytes long.
 Data: < &#234;L&#165;&#246;           > 80 EA 4C A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002370AB9CE20, 16 bytes long.
 Data: <@&#233;L&#165;&#246;           > 40 E9 4C A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002370AB9CB00, 16 bytes long.
 Data: <&#248;WI&#165;&#246;           > F8 57 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002370AB9CA10, 16 bytes long.
 Data: <&#216;WI&#165;&#246;           > D8 57 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002370AB9C6F0, 16 bytes long.
 Data: <P I&#165;&#246;           > 50 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002370AB9CB50, 16 bytes long.
 Data: <0 I&#165;&#246;           > 30 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002370AB9CC90, 16 bytes long.
 Data: <&#224; I&#165;&#246;           > E0 02 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002370AB9CDD0, 16 bytes long.
 Data: <  I&#165;&#246;           > 10 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002370AB9D230, 16 bytes long.
 Data: <p I&#165;&#246;           > 70 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002370AB9D1E0, 16 bytes long.
 Data: < &#192;G&#165;&#246;           > 18 C0 47 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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