Task 38665245

Name test_644-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND2666_1
Workunit 31608165
Created 25 Oct 2026, 0:54:35 UTC
Sent 25 Oct 2026, 0:56:13 UTC
Report deadline 30 Oct 2026, 0:56:13 UTC
Received 25 Oct 2026, 2:53:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 634205
Run time 1 hours 22 min 22 sec
CPU time 1 hours 20 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 771.42 MB
Peak swap size 12.94 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
12:31:56 (40360): wrapper (7.9.26016): starting
12:31:56 (40360): 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
12:31:57 (40360): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:31:57 (40360): 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\3\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\3\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
13:52:27 (40360): C:/Windows/system32/cmd.exe exited; CPU time 4804.921875
13:52:27 (40360): 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: 100779007 bytes.
Dumping objects ->
{3835521} normal block at 0x000002188DF896B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000002188DF89720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x000002188DF88ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x000002188DF89090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x000002188DF89870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x000002188FCE5FE0, 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) : {3835433} normal block at 0x000002188DF61810, 8 bytes long.
 Data: <  &#241;     > 00 00 F1 8D 18 02 00 00 
{3833971} normal block at 0x000002188DF60F50, 8 bytes long.
 Data: <&#224;&#219;&#244;     > E0 DB F4 8D 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002188DF56140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002188DF57A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002188DF65620, 16 bytes long.
 Data: <&#200;g&#246;             > C8 67 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002188DF663E0, 16 bytes long.
 Data: <&#160;g&#246;             > A0 67 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002188DF5FC90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002188DF66200, 16 bytes long.
 Data: <xg&#246;             > 78 67 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002188DF661B0, 16 bytes long.
 Data: <Pg&#246;             > 50 67 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002188DF65670, 16 bytes long.
 Data: <(g&#246;             > 28 67 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002188DF65710, 16 bytes long.
 Data: < g&#246;             > 00 67 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002188DF5E8E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002188DF655D0, 16 bytes long.
 Data: < &#249;&#245;             > 08 F9 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002188DF605F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002188DF66070, 16 bytes long.
 Data: <&#224;&#248;&#245;             > E0 F8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002188DF66250, 16 bytes long.
 Data: <&#184;&#248;&#245;             > B8 F8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002188DF65B20, 16 bytes long.
 Data: < &#248;&#245;             > 90 F8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002188DF65CB0, 16 bytes long.
 Data: <h&#248;&#245;             > 68 F8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002188DF65FD0, 16 bytes long.
 Data: <@&#248;&#245;             > 40 F8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002188DF65C10, 16 bytes long.
 Data: < &#248;&#245;             > 18 F8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002188DF604D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002188DF65E40, 16 bytes long.
 Data: <&#240;&#247;&#245;             > F0 F7 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002188DF5F7F0, 320 bytes long.
 Data: <@^&#246;     &#208; &#246;     > 40 5E F6 8D 18 02 00 00 D0 04 F6 8D 18 02 00 00 
{281} normal block at 0x000002188DF65C60, 16 bytes long.
 Data: <&#224;f&#246;             > E0 66 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002188DF65530, 16 bytes long.
 Data: <&#184;f&#246;             > B8 66 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002188DF60170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002188DF65F80, 16 bytes long.
 Data: < f&#246;             > 90 66 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002188DF5FBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002188DF65800, 16 bytes long.
 Data: <&#216;e&#246;             > D8 65 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002188DF65990, 16 bytes long.
 Data: <&#176;e&#246;             > B0 65 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002188DF66390, 16 bytes long.
 Data: < e&#246;             > 88 65 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002188DF66020, 16 bytes long.
 Data: <`e&#246;             > 60 65 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002188DF65580, 16 bytes long.
 Data: <8e&#246;             > 38 65 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002188DF658A0, 16 bytes long.
 Data: < e&#246;             > 10 65 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002188DF65A80, 16 bytes long.
 Data: <p&#232;&#245;             > 70 E8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002188DF5E870, 40 bytes long.
 Data: < Z&#246;     &#224;_&#206;     > 80 5A F6 8D 18 02 00 00 E0 5F CE 8F 18 02 00 00 
{267} normal block at 0x000002188DF654E0, 16 bytes long.
 Data: <&#240;d&#246;             > F0 64 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002188DF65BC0, 16 bytes long.
 Data: <&#200;d&#246;             > C8 64 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002188DF60590, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002188DF65B70, 16 bytes long.
 Data: <&#160;d&#246;             > A0 64 F6 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002188DF664A0, 992 bytes long.
 Data: <p[&#246;       &#246;     > 70 5B F6 8D 18 02 00 00 90 05 F6 8D 18 02 00 00 
{99} normal block at 0x000002188DF602F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002188DF61220, 16 bytes long.
 Data: < &#232;&#245;             > 00 E8 F5 8D 18 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002188DF5E800, 40 bytes long.
 Data: <  &#246;     &#240; &#246;     > 20 12 F6 8D 18 02 00 00 F0 02 F6 8D 18 02 00 00 
{76} normal block at 0x000002188DF610E0, 16 bytes long.
 Data: < &#234;s&#183;&#247;           > 80 EA 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002188DF61090, 16 bytes long.
 Data: <@&#233;s&#183;&#247;           > 40 E9 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002188DF60C80, 16 bytes long.
 Data: <&#248;Wp&#183;&#247;           > F8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002188DF61180, 16 bytes long.
 Data: <&#216;Wp&#183;&#247;           > D8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002188DF61680, 16 bytes long.
 Data: <P p&#183;&#247;           > 50 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002188DF61630, 16 bytes long.
 Data: <0 p&#183;&#247;           > 30 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002188DF61130, 16 bytes long.
 Data: <&#224; p&#183;&#247;           > E0 02 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002188DF60A00, 16 bytes long.
 Data: <  p&#183;&#247;           > 10 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002188DF611D0, 16 bytes long.
 Data: <p p&#183;&#247;           > 70 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002188DF60B40, 16 bytes long.
 Data: < &#192;n&#183;&#247;           > 18 C0 6E B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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