Task 38687888

Name test_1018-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND0534_0
Workunit 31629259
Created 28 Oct 2026, 10:21:45 UTC
Sent 28 Oct 2026, 10:21:45 UTC
Report deadline 2 Nov 2026, 10:21:45 UTC
Received 28 Oct 2026, 12:55:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 32 min 6 sec
CPU time 28 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.57 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:34:18 (10452): wrapper (7.9.26016): starting
11:34:18 (10452): 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
11:34:21 (10452): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:34:21 (10452): 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:\BOINC\slots\4\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:\BOINC\slots\4\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
12:04:13 (10452): C:/Windows/system32/cmd.exe exited; CPU time 1729.140625
12:04:13 (10452): 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: 33546261 bytes.
Dumping objects ->
{3835197} normal block at 0x0000023C6ED7EA10, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x0000023C70945FE0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x0000023C70946100, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x0000023C70945DA0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x0000023C70945EC0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x0000023C6ED7E9A0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x0000023C6ED77E20, 8 bytes long.
 Data: <  &#212;n<   > 00 00 D4 6E 3C 02 00 00 
{3833953} normal block at 0x0000023C6ED785F0, 8 bytes long.
 Data: <&#208;  p<   > D0 20 98 70 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000023C6ED81CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023C6ED7DF60, 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 0x0000023C6ED82DA0, 16 bytes long.
 Data: <&#184;=&#216;n<           > B8 3D D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023C6ED83610, 16 bytes long.
 Data: < =&#216;n<           > 90 3D D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C6ED7CDA0, 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 0x0000023C6ED83890, 16 bytes long.
 Data: <h=&#216;n<           > 68 3D D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023C6ED83480, 16 bytes long.
 Data: <@=&#216;n<           > 40 3D D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023C6ED82D00, 16 bytes long.
 Data: < =&#216;n<           > 18 3D D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023C6ED83840, 16 bytes long.
 Data: <&#240;<&#216;n<           > F0 3C D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023C6ED7E310, 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 0x0000023C6ED83430, 16 bytes long.
 Data: <&#216;`&#214;n<           > D8 60 D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023C6ED7C920, 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 0x0000023C6ED830C0, 16 bytes long.
 Data: <&#176;`&#214;n<           > B0 60 D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023C6ED82D50, 16 bytes long.
 Data: < `&#214;n<           > 88 60 D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023C6ED82CB0, 16 bytes long.
 Data: <``&#214;n<           > 60 60 D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023C6ED833E0, 16 bytes long.
 Data: <8`&#214;n<           > 38 60 D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023C6ED83390, 16 bytes long.
 Data: < `&#214;n<           > 10 60 D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023C6ED83340, 16 bytes long.
 Data: <&#232;_&#214;n<           > E8 5F D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023C6ED7D0A0, 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 0x0000023C6ED82B20, 16 bytes long.
 Data: <&#192;_&#214;n<           > C0 5F D6 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023C6ED65FC0, 320 bytes long.
 Data: < +&#216;n<   &#160;&#208;&#215;n<   > 20 2B D8 6E 3C 02 00 00 A0 D0 D7 6E 3C 02 00 00 
{272} normal block at 0x0000023C6ED82EE0, 16 bytes long.
 Data: <&#208;<&#216;n<           > D0 3C D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023C6ED832F0, 16 bytes long.
 Data: <&#168;<&#216;n<           > A8 3C D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023C6ED7CC80, 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 0x0000023C6ED82B70, 16 bytes long.
 Data: < <&#216;n<           > 80 3C D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023C6ED7CCE0, 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 0x0000023C6ED82C60, 16 bytes long.
 Data: <&#200;;&#216;n<           > C8 3B D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023C6ED83570, 16 bytes long.
 Data: <&#160;;&#216;n<           > A0 3B D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023C6ED82C10, 16 bytes long.
 Data: <x;&#216;n<           > 78 3B D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023C6ED82BC0, 16 bytes long.
 Data: <P;&#216;n<           > 50 3B D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023C6ED83250, 16 bytes long.
 Data: <(;&#216;n<           > 28 3B D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023C6ED832A0, 16 bytes long.
 Data: < ;&#216;n<           > 00 3B D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023C6ED831B0, 16 bytes long.
 Data: < &#230;&#215;n<           > 90 E6 D7 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023C6ED7E690, 40 bytes long.
 Data: <&#176;1&#216;n<   &#160;&#233;&#215;n<   > B0 31 D8 6E 3C 02 00 00 A0 E9 D7 6E 3C 02 00 00 
{258} normal block at 0x0000023C6ED82AD0, 16 bytes long.
 Data: <&#224;:&#216;n<           > E0 3A D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023C6ED83160, 16 bytes long.
 Data: <&#184;:&#216;n<           > B8 3A D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023C6ED7C7A0, 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 0x0000023C6ED83A20, 16 bytes long.
 Data: < :&#216;n<           > 90 3A D8 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000023C6ED83A90, 992 bytes long.
 Data: < :&#216;n<   &#160;&#199;&#215;n<   > 20 3A D8 6E 3C 02 00 00 A0 C7 D7 6E 3C 02 00 00 
{90} normal block at 0x0000023C6ED7CFE0, 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 0x0000023C6ED77B00, 16 bytes long.
 Data: <&#176;&#229;&#215;n<           > B0 E5 D7 6E 3C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000023C6ED7E5B0, 40 bytes long.
 Data: < {&#215;n<   &#224;&#207;&#215;n<   > 00 7B D7 6E 3C 02 00 00 E0 CF D7 6E 3C 02 00 00 
{67} normal block at 0x0000023C6ED77A10, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023C6ED78050, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023C6ED78780, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023C6ED77AB0, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023C6ED78370, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023C6ED78550, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023C6ED782D0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023C6ED77A60, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023C6ED77DD0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023C6ED78690, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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