Task 38688271

Name test_174-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7413_0
Workunit 31629630
Created 28 Oct 2026, 12:47:25 UTC
Sent 28 Oct 2026, 12:47:25 UTC
Report deadline 2 Nov 2026, 12:47:25 UTC
Received 28 Oct 2026, 14:26:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 34 min 34 sec
CPU time 32 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.53 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:43:32 (8972): wrapper (7.9.26016): starting
09:43:32 (8972): 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
09:43:33 (8972): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:43:33 (8972): 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\7\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\7\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
10:16:43 (8972): C:/Windows/system32/cmd.exe exited; CPU time 1963.390625
10:16:43 (8972): 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: 32035383 bytes.
Dumping objects ->
{3835185} normal block at 0x0000028E6CB05830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000028E6CB057C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000028E6CB05750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x0000028E6CB05600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x0000028E6CB05590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x0000028E6CAF50A0, 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) : {3835097} normal block at 0x0000028E6CB01930, 8 bytes long.
 Data: <  &#226;l&#142;   > 00 00 E2 6C 8E 02 00 00 
{3833953} normal block at 0x0000028E6CB012F0, 8 bytes long.
 Data: <P8tn&#142;   > 50 38 74 6E 8E 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000028E6CAFF000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028E6CAEE5C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000028E6CB05FD0, 16 bytes long.
 Data: <&#232;o&#176;l&#142;           > E8 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028E6CB05F80, 16 bytes long.
 Data: <&#192;o&#176;l&#142;           > C0 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028E6CB00150, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000028E6CB062F0, 16 bytes long.
 Data: < o&#176;l&#142;           > 98 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028E6CB06520, 16 bytes long.
 Data: <po&#176;l&#142;           > 70 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028E6CB05D50, 16 bytes long.
 Data: <Ho&#176;l&#142;           > 48 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028E6CB06020, 16 bytes long.
 Data: < o&#176;l&#142;           > 20 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028E6CB054B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000028E6CB06B10, 16 bytes long.
 Data: <h&#180;&#174;l&#142;           > 68 B4 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028E6CAFFE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000028E6CB06700, 16 bytes long.
 Data: <@&#180;&#174;l&#142;           > 40 B4 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028E6CB060C0, 16 bytes long.
 Data: < &#180;&#174;l&#142;           > 18 B4 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028E6CB06570, 16 bytes long.
 Data: <&#240;&#179;&#174;l&#142;           > F0 B3 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028E6CB06A70, 16 bytes long.
 Data: <&#200;&#179;&#174;l&#142;           > C8 B3 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028E6CB064D0, 16 bytes long.
 Data: <&#160;&#179;&#174;l&#142;           > A0 B3 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028E6CB06750, 16 bytes long.
 Data: <x&#179;&#174;l&#142;           > 78 B3 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028E6CAFFF70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000028E6CB06250, 16 bytes long.
 Data: <P&#179;&#174;l&#142;           > 50 B3 AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028E6CAEB350, 320 bytes long.
 Data: <Pb&#176;l&#142;   p&#255;&#175;l&#142;   > 50 62 B0 6C 8E 02 00 00 70 FF AF 6C 8E 02 00 00 
{272} normal block at 0x0000028E6CB06930, 16 bytes long.
 Data: < o&#176;l&#142;           > 00 6F B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028E6CB06980, 16 bytes long.
 Data: <&#216;n&#176;l&#142;           > D8 6E B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028E6CB008D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000028E6CB05EE0, 16 bytes long.
 Data: <&#176;n&#176;l&#142;           > B0 6E B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028E6CB00C90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000028E6CB066B0, 16 bytes long.
 Data: <&#248;m&#176;l&#142;           > F8 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028E6CB062A0, 16 bytes long.
 Data: <&#208;m&#176;l&#142;           > D0 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028E6CB068E0, 16 bytes long.
 Data: <&#168;m&#176;l&#142;           > A8 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028E6CB06A20, 16 bytes long.
 Data: < m&#176;l&#142;           > 80 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028E6CB06610, 16 bytes long.
 Data: <Xm&#176;l&#142;           > 58 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028E6CB06C00, 16 bytes long.
 Data: <0m&#176;l&#142;           > 30 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028E6CB06390, 16 bytes long.
 Data: < Y&#176;l&#142;           > 10 59 B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028E6CB05910, 40 bytes long.
 Data: < c&#176;l&#142;   &#160;P&#175;l&#142;   > 90 63 B0 6C 8E 02 00 00 A0 50 AF 6C 8E 02 00 00 
{258} normal block at 0x0000028E6CB067A0, 16 bytes long.
 Data: < m&#176;l&#142;           > 10 6D B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028E6CB069D0, 16 bytes long.
 Data: <&#232;l&#176;l&#142;           > E8 6C B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028E6CB00BD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000028E6CB06660, 16 bytes long.
 Data: <&#192;l&#176;l&#142;           > C0 6C B0 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028E6CB06CC0, 992 bytes long.
 Data: <`f&#176;l&#142;   &#208; &#176;l&#142;   > 60 66 B0 6C 8E 02 00 00 D0 0B B0 6C 8E 02 00 00 
{90} normal block at 0x0000028E6CAFFFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000028E6CB01520, 16 bytes long.
 Data: <&#224;&#175;&#174;l&#142;           > E0 AF AE 6C 8E 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000028E6CAEAFE0, 40 bytes long.
 Data: <  &#176;l&#142;   &#208;&#255;&#175;l&#142;   > 20 15 B0 6C 8E 02 00 00 D0 FF AF 6C 8E 02 00 00 
{67} normal block at 0x0000028E6CB01610, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028E6CB01BB0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028E6CB010C0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028E6CB015C0, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028E6CB01070, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028E6CB01B60, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028E6CB00FD0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028E6CB017A0, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028E6CB01C00, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028E6CB01890, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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