Task 38681724

Name test_541-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8000_0
Workunit 31623378
Created 27 Oct 2026, 5:06:14 UTC
Sent 27 Oct 2026, 5:06:19 UTC
Report deadline 1 Nov 2026, 5:06:19 UTC
Received 27 Oct 2026, 7:00:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 47 min 59 sec
CPU time 46 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 655.55 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:13:03 (6768): wrapper (7.9.26016): starting
23:13:03 (6768): 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
23:13:05 (6768): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:13:05 (6768): 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 'E:\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 'E:\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
23:59:20 (6768): C:/Windows/system32/cmd.exe exited; CPU time 2790.312500
23:59:20 (6768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 32421839 bytes.
Dumping objects ->
{3835223} normal block at 0x000001FA1D011160, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001FA1D011630, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001FA1D0110F0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001FA1D0115C0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001FA1D011550, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001FA1EAE2610, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001FA1EB43440, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835134} normal block at 0x000001FA1D007270, 8 bytes long.
 Data: <  &#247; &#250;   > 00 00 F7 1C FA 01 00 00 
{3834539} normal block at 0x000001FA1EB43280, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001FA1D0071D0, 8 bytes long.
 Data: < &#167;&#255; &#250;   > 80 A7 FF 1C FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001FA1D00C610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FA1CFF5C30, 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 0x000001FA1D0125B0, 16 bytes long.
 Data: < ;  &#250;           > 88 3B 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FA1D011D40, 16 bytes long.
 Data: <`;  &#250;           > 60 3B 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FA1D00D550, 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 0x000001FA1D0124C0, 16 bytes long.
 Data: <8;  &#250;           > 38 3B 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FA1D011F70, 16 bytes long.
 Data: < ;  &#250;           > 10 3B 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA1D012470, 16 bytes long.
 Data: <&#232;:  &#250;           > E8 3A 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FA1D012740, 16 bytes long.
 Data: <&#192;:  &#250;           > C0 3A 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA1D011710, 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 0x000001FA1D011C00, 16 bytes long.
 Data: <(&#177;&#255; &#250;           > 28 B1 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FA1D00D7F0, 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 0x000001FA1D012420, 16 bytes long.
 Data: < &#177;&#255; &#250;           > 00 B1 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA1D0126A0, 16 bytes long.
 Data: <&#216;&#176;&#255; &#250;           > D8 B0 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FA1D011B10, 16 bytes long.
 Data: <&#176;&#176;&#255; &#250;           > B0 B0 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FA1D011A20, 16 bytes long.
 Data: < &#176;&#255; &#250;           > 88 B0 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA1D012380, 16 bytes long.
 Data: <`&#176;&#255; &#250;           > 60 B0 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FA1D0119D0, 16 bytes long.
 Data: <8&#176;&#255; &#250;           > 38 B0 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA1D00CEF0, 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 0x000001FA1D012330, 16 bytes long.
 Data: < &#176;&#255; &#250;           > 10 B0 FF 1C FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FA1CFFB010, 320 bytes long.
 Data: <0#  &#250;   &#240;&#206;  &#250;   > 30 23 01 1D FA 01 00 00 F0 CE 00 1D FA 01 00 00 
{272} normal block at 0x000001FA1D011D90, 16 bytes long.
 Data: <&#160;:  &#250;           > A0 3A 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FA1D011A70, 16 bytes long.
 Data: <x:  &#250;           > 78 3A 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA1D00D970, 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 0x000001FA1D011980, 16 bytes long.
 Data: <P:  &#250;           > 50 3A 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA1D00D6D0, 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 0x000001FA1D011AC0, 16 bytes long.
 Data: < 9  &#250;           > 98 39 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FA1D011930, 16 bytes long.
 Data: <p9  &#250;           > 70 39 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA1D011CF0, 16 bytes long.
 Data: <H9  &#250;           > 48 39 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FA1D0118E0, 16 bytes long.
 Data: < 9  &#250;           > 20 39 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA1D012150, 16 bytes long.
 Data: <&#248;8  &#250;           > F8 38 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FA1D011890, 16 bytes long.
 Data: <&#208;8  &#250;           > D0 38 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FA1D012060, 16 bytes long.
 Data: <&#176;   &#250;           > B0 12 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FA1D0112B0, 40 bytes long.
 Data: <`   &#250;    &&#174; &#250;   > 60 20 01 1D FA 01 00 00 10 26 AE 1E FA 01 00 00 
{258} normal block at 0x000001FA1D011B60, 16 bytes long.
 Data: <&#176;8  &#250;           > B0 38 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FA1D0127E0, 16 bytes long.
 Data: < 8  &#250;           > 88 38 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FA1D00D790, 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 0x000001FA1D0122E0, 16 bytes long.
 Data: <`8  &#250;           > 60 38 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FA1D013860, 992 bytes long.
 Data: <&#224;"  &#250;    &#215;  &#250;   > E0 22 01 1D FA 01 00 00 90 D7 00 1D FA 01 00 00 
{90} normal block at 0x000001FA1D00D1F0, 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 0x000001FA1D007130, 16 bytes long.
 Data: <p   &#250;           > 70 14 01 1D FA 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001FA1D011470, 40 bytes long.
 Data: <0q  &#250;   &#240;&#209;  &#250;   > 30 71 00 1D FA 01 00 00 F0 D1 00 1D FA 01 00 00 
{67} normal block at 0x000001FA1D0070E0, 16 bytes long.
 Data: < &#234;&#146; &#247;           > 80 EA 92 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FA1D007310, 16 bytes long.
 Data: <@&#233;&#146; &#247;           > 40 E9 92 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FA1D006640, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FA1D006B90, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA1D007090, 16 bytes long.
 Data: <P   &#247;           > 50 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA1D007040, 16 bytes long.
 Data: <0   &#247;           > 30 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FA1D006AF0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FA1D007180, 16 bytes long.
 Data: <    &#247;           > 10 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FA1D007220, 16 bytes long.
 Data: <p   &#247;           > 70 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FA1D0069B0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 8D 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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