Task 38664916

Name test_1408-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5115_0
Workunit 31608039
Created 25 Oct 2026, 0:22:08 UTC
Sent 25 Oct 2026, 0:22:25 UTC
Report deadline 30 Oct 2026, 0:22:25 UTC
Received 25 Oct 2026, 4:31:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 37 min 24 sec
CPU time 31 min 38 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 708.60 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:44:55 (17436): wrapper (7.9.26016): starting
02:44:55 (17436): 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
02:45:00 (17436): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:45:00 (17436): 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\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:\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
02:20:02 (17436): C:/Windows/system32/cmd.exe exited; CPU time 1898.453125
02:20:02 (17436): 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: 39192871 bytes.
Dumping objects ->
{3835197} normal block at 0x00000184EB31E850, 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 0x00000184ECE64900, 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 0x00000184ECE645A0, 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 0x00000184ECE64A80, 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 0x00000184ECE65440, 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 0x00000184EB31E7E0, 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 0x00000184EB3186E0, 8 bytes long.
 Data: <  &#243;&#236;&#132;   > 00 00 F3 EC 84 01 00 00 
{3833953} normal block at 0x00000184EB3180A0, 8 bytes long.
 Data: <&#208; &#234;&#236;&#132;   > D0 20 EA EC 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000184EB321CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000184EB31DF60, 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 0x00000184EB323A20, 16 bytes long.
 Data: <&#184;=2&#235;&#132;           > B8 3D 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000184EB3232A0, 16 bytes long.
 Data: < =2&#235;&#132;           > 90 3D 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000184EB31D0A0, 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 0x00000184EB323390, 16 bytes long.
 Data: <h=2&#235;&#132;           > 68 3D 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000184EB322B70, 16 bytes long.
 Data: <@=2&#235;&#132;           > 40 3D 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000184EB322C60, 16 bytes long.
 Data: < =2&#235;&#132;           > 18 3D 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000184EB323200, 16 bytes long.
 Data: <&#240;<2&#235;&#132;           > F0 3C 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000184EB31E4D0, 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 0x00000184EB3232F0, 16 bytes long.
 Data: <&#216;`0&#235;&#132;           > D8 60 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000184EB31CAA0, 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 0x00000184EB3231B0, 16 bytes long.
 Data: <&#176;`0&#235;&#132;           > B0 60 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000184EB323160, 16 bytes long.
 Data: < `0&#235;&#132;           > 88 60 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000184EB323250, 16 bytes long.
 Data: <``0&#235;&#132;           > 60 60 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000184EB323020, 16 bytes long.
 Data: <8`0&#235;&#132;           > 38 60 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000184EB323340, 16 bytes long.
 Data: < `0&#235;&#132;           > 10 60 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000184EB322E90, 16 bytes long.
 Data: <&#232;_0&#235;&#132;           > E8 5F 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000184EB31D520, 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 0x00000184EB323110, 16 bytes long.
 Data: <&#192;_0&#235;&#132;           > C0 5F 30 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000184EB305FC0, 320 bytes long.
 Data: < 12&#235;&#132;    &#213;1&#235;&#132;   > 10 31 32 EB 84 01 00 00 20 D5 31 EB 84 01 00 00 
{272} normal block at 0x00000184EB322E40, 16 bytes long.
 Data: <&#208;<2&#235;&#132;           > D0 3C 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000184EB323070, 16 bytes long.
 Data: <&#168;<2&#235;&#132;           > A8 3C 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000184EB31C6E0, 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 0x00000184EB322BC0, 16 bytes long.
 Data: < <2&#235;&#132;           > 80 3C 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000184EB31D4C0, 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 0x00000184EB322DF0, 16 bytes long.
 Data: <&#200;;2&#235;&#132;           > C8 3B 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000184EB323930, 16 bytes long.
 Data: <&#160;;2&#235;&#132;           > A0 3B 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000184EB323660, 16 bytes long.
 Data: <x;2&#235;&#132;           > 78 3B 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000184EB322D50, 16 bytes long.
 Data: <P;2&#235;&#132;           > 50 3B 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000184EB322D00, 16 bytes long.
 Data: <(;2&#235;&#132;           > 28 3B 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000184EB322F80, 16 bytes long.
 Data: < ;2&#235;&#132;           > 00 3B 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000184EB322C10, 16 bytes long.
 Data: <p&#231;1&#235;&#132;           > 70 E7 31 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000184EB31E770, 40 bytes long.
 Data: < ,2&#235;&#132;   &#224;&#231;1&#235;&#132;   > 10 2C 32 EB 84 01 00 00 E0 E7 31 EB 84 01 00 00 
{258} normal block at 0x00000184EB322CB0, 16 bytes long.
 Data: <&#224;:2&#235;&#132;           > E0 3A 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000184EB3235C0, 16 bytes long.
 Data: <&#184;:2&#235;&#132;           > B8 3A 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000184EB31C680, 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 0x00000184EB322AD0, 16 bytes long.
 Data: < :2&#235;&#132;           > 90 3A 32 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000184EB323A90, 992 bytes long.
 Data: <&#208;*2&#235;&#132;    &#198;1&#235;&#132;   > D0 2A 32 EB 84 01 00 00 80 C6 31 EB 84 01 00 00 
{90} normal block at 0x00000184EB31C8C0, 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 0x00000184EB317F60, 16 bytes long.
 Data: <`&#228;1&#235;&#132;           > 60 E4 31 EB 84 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000184EB31E460, 40 bytes long.
 Data: <` 1&#235;&#132;   &#192;&#200;1&#235;&#132;   > 60 7F 31 EB 84 01 00 00 C0 C8 31 EB 84 01 00 00 
{67} normal block at 0x00000184EB3178D0, 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 0x00000184EB317A10, 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 0x00000184EB317E70, 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 0x00000184EB317920, 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 0x00000184EB317BA0, 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 0x00000184EB317E20, 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 0x00000184EB318500, 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 0x00000184EB3184B0, 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 0x00000184EB317B50, 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 0x00000184EB318640, 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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