Task 38654312

Name test_918-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND4530_0
Workunit 31598143
Created 24 Oct 2026, 7:05:12 UTC
Sent 24 Oct 2026, 7:06:27 UTC
Report deadline 29 Oct 2026, 7:06:27 UTC
Received 24 Oct 2026, 7:27:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643341
Run time 20 min 30 sec
CPU time 18 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.62 MB
Peak swap size 9.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:08:00 (38916): wrapper (7.9.26016): starting
09:08:00 (38916): 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
09:08:01 (38916): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:08:01 (38916): 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 'D:\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 'D:\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
09:27:11 (38916): C:/Windows/system32/cmd.exe exited; CPU time 1084.656250
09:27:11 (38916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 25717675 bytes.
Dumping objects ->
{3835203} normal block at 0x00000207198D82A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835192} normal block at 0x000002071BBA3A50, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x000002071BBA39F0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835170} normal block at 0x000002071BBA3F90, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835159} normal block at 0x000002071BBA35D0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835128} normal block at 0x00000207198D84D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x00000207198CF320, 8 bytes long.
 Data: <  {     > 00 00 7B 19 07 02 00 00 
{3833961} normal block at 0x00000207198CECE0, 8 bytes long.
 Data: < &#234;&#166;     > 90 EA A6 1B 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000207198C5900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000207198CC370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000207198D8E30, 16 bytes long.
 Data: <&#216;&#159;              > D8 9F 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000207198D9AB0, 16 bytes long.
 Data: <&#176;&#159;              > B0 9F 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000207198D3130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000207198D94C0, 16 bytes long.
 Data: < &#159;              > 88 9F 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207198D9830, 16 bytes long.
 Data: <`&#159;              > 60 9F 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000207198D8F20, 16 bytes long.
 Data: <8&#159;              > 38 9F 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000207198D9150, 16 bytes long.
 Data: < &#159;              > 10 9F 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000207198D8690, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000207198D8ED0, 16 bytes long.
 Data: <&#168;1&#140;             > A8 31 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000207198D28F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000207198D8CF0, 16 bytes long.
 Data: < 1&#140;             > 80 31 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207198D9330, 16 bytes long.
 Data: <X1&#140;             > 58 31 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000207198D8DE0, 16 bytes long.
 Data: <01&#140;             > 30 31 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000207198D9600, 16 bytes long.
 Data: < 1&#140;             > 08 31 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000207198D97E0, 16 bytes long.
 Data: <&#224;0&#140;             > E0 30 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000207198D9380, 16 bytes long.
 Data: <&#184;0&#140;             > B8 30 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000207198D2B90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000207198D9790, 16 bytes long.
 Data: < 0&#140;             > 90 30 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000207198C3090, 320 bytes long.
 Data: < &#151;       +      > 90 97 8D 19 07 02 00 00 90 2B 8D 19 07 02 00 00 
{276} normal block at 0x00000207198D91A0, 16 bytes long.
 Data: <&#240;&#158;              > F0 9E 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000207198D9740, 16 bytes long.
 Data: <&#200;&#158;              > C8 9E 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000207198D2890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000207198D9240, 16 bytes long.
 Data: <&#160;&#158;              > A0 9E 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000207198D3610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000207198D8E80, 16 bytes long.
 Data: <&#232;               > E8 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000207198D96F0, 16 bytes long.
 Data: <&#192;               > C0 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000207198D9A60, 16 bytes long.
 Data: <                > 98 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000207198D9100, 16 bytes long.
 Data: <p               > 70 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000207198D9420, 16 bytes long.
 Data: <H               > 48 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000207198D9010, 16 bytes long.
 Data: <                > 20 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000207198D9290, 16 bytes long.
 Data: <&#240;&#131;              > F0 83 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000207198D83F0, 40 bytes long.
 Data: < &#146;      &#208;&#132;      > 90 92 8D 19 07 02 00 00 D0 84 8D 19 07 02 00 00 
{262} normal block at 0x00000207198D9C40, 16 bytes long.
 Data: <                > 00 9D 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000207198D9A10, 16 bytes long.
 Data: <&#216;&#156;              > D8 9C 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000207198D3490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000207198D90B0, 16 bytes long.
 Data: <&#176;&#156;              > B0 9C 8D 19 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000207198D9CB0, 992 bytes long.
 Data: <&#176;        4      > B0 90 8D 19 07 02 00 00 90 34 8D 19 07 02 00 00 
{94} normal block at 0x00000207198D2C50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000207198CF4B0, 16 bytes long.
 Data: < A&#140;             > 20 41 8C 19 07 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000207198C4120, 40 bytes long.
 Data: <&#176;&#244;&#140;     P,      > B0 F4 8C 19 07 02 00 00 50 2C 8D 19 07 02 00 00 
{71} normal block at 0x00000207198CE7E0, 16 bytes long.
 Data: < &#234;&#237;&#189;&#246;           > 80 EA ED BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000207198CF050, 16 bytes long.
 Data: <@&#233;&#237;&#189;&#246;           > 40 E9 ED BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000207198CF280, 16 bytes long.
 Data: <&#248;W&#234;&#189;&#246;           > F8 57 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000207198CEDD0, 16 bytes long.
 Data: <&#216;W&#234;&#189;&#246;           > D8 57 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000207198CE920, 16 bytes long.
 Data: <P &#234;&#189;&#246;           > 50 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000207198CF1E0, 16 bytes long.
 Data: <0 &#234;&#189;&#246;           > 30 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000207198CEBA0, 16 bytes long.
 Data: <&#224; &#234;&#189;&#246;           > E0 02 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000207198CF0F0, 16 bytes long.
 Data: <  &#234;&#189;&#246;           > 10 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000207198CF5A0, 16 bytes long.
 Data: <p &#234;&#189;&#246;           > 70 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000207198CEC40, 16 bytes long.
 Data: < &#192;&#232;&#189;&#246;           > 18 C0 E8 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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