Task 38684265

Name test_447-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND3370_0
Workunit 31625785
Created 27 Oct 2026, 15:30:07 UTC
Sent 27 Oct 2026, 15:30:12 UTC
Report deadline 1 Nov 2026, 15:30:12 UTC
Received 27 Oct 2026, 16:26:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 11 sec
CPU time 24 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.68 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:58:49 (18724): wrapper (7.9.26016): starting
11:58:49 (18724): 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
11:58:50 (18724): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:58:50 (18724): 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\12\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\12\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
12:25:28 (18724): C:/Windows/system32/cmd.exe exited; CPU time 1485.156250
12:25:28 (18724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 31156289 bytes.
Dumping objects ->
{3835236} normal block at 0x0000027964B04910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000027964B04DE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000027964B04E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000027964B04D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000027964B04EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000002796683B170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002796684EA80, 103 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) : {3835147} normal block at 0x0000027964AFEF70, 8 bytes long.
 Data: <  &#252;dy   > 00 00 FC 64 79 02 00 00 
{3834543} normal block at 0x000002796684ED40, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000027964AFEB10, 8 bytes long.
 Data: < T&#140;fy   > 10 54 8C 66 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027964B009F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027964AF04A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000027964B05660, 16 bytes long.
 Data: < h&#176;dy           > 08 68 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027964B05610, 16 bytes long.
 Data: <&#224;g&#176;dy           > E0 67 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027964B00880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000027964B06100, 16 bytes long.
 Data: <&#184;g&#176;dy           > B8 67 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027964B05ED0, 16 bytes long.
 Data: < g&#176;dy           > 90 67 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027964B06470, 16 bytes long.
 Data: <hg&#176;dy           > 68 67 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027964B06420, 16 bytes long.
 Data: <@g&#176;dy           > 40 67 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027964B04A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000027964B06380, 16 bytes long.
 Data: <(&#245;&#174;dy           > 28 F5 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027964B00520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000027964B06240, 16 bytes long.
 Data: < &#245;&#174;dy           > 00 F5 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027964B06330, 16 bytes long.
 Data: <&#216;&#244;&#174;dy           > D8 F4 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027964B05E80, 16 bytes long.
 Data: <&#176;&#244;&#174;dy           > B0 F4 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027964B055C0, 16 bytes long.
 Data: < &#244;&#174;dy           > 88 F4 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027964B05C50, 16 bytes long.
 Data: <`&#244;&#174;dy           > 60 F4 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027964B063D0, 16 bytes long.
 Data: <8&#244;&#174;dy           > 38 F4 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027964AFFA40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000027964B05B10, 16 bytes long.
 Data: < &#244;&#174;dy           > 10 F4 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027964AEF410, 320 bytes long.
 Data: < [&#176;dy   @&#250;&#175;dy   > 10 5B B0 64 79 02 00 00 40 FA AF 64 79 02 00 00 
{275} normal block at 0x0000027964B060B0, 16 bytes long.
 Data: < g&#176;dy           > 20 67 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027964B05C00, 16 bytes long.
 Data: <&#248;f&#176;dy           > F8 66 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027964AFFB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000027964B05840, 16 bytes long.
 Data: <&#208;f&#176;dy           > D0 66 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027964B001C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000027964B05FC0, 16 bytes long.
 Data: < f&#176;dy           > 18 66 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027964B06290, 16 bytes long.
 Data: <&#240;e&#176;dy           > F0 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027964B06010, 16 bytes long.
 Data: <&#200;e&#176;dy           > C8 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027964B05750, 16 bytes long.
 Data: <&#160;e&#176;dy           > A0 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027964B062E0, 16 bytes long.
 Data: <xe&#176;dy           > 78 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027964B05D40, 16 bytes long.
 Data: <Pe&#176;dy           > 50 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027964B061A0, 16 bytes long.
 Data: < P&#176;dy           > 10 50 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027964B05010, 40 bytes long.
 Data: <&#160;a&#176;dy   p&#177;&#131;fy   > A0 61 B0 64 79 02 00 00 70 B1 83 66 79 02 00 00 
{261} normal block at 0x0000027964B06150, 16 bytes long.
 Data: <0e&#176;dy           > 30 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027964B05BB0, 16 bytes long.
 Data: < e&#176;dy           > 08 65 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027964AFFDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000027964B05570, 16 bytes long.
 Data: <&#224;d&#176;dy           > E0 64 B0 64 79 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027964B064E0, 992 bytes long.
 Data: <pU&#176;dy   &#160;&#253;&#175;dy   > 70 55 B0 64 79 02 00 00 A0 FD AF 64 79 02 00 00 
{93} normal block at 0x0000027964B005E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000027964AFEAC0, 16 bytes long.
 Data: < &#213;&#174;dy           > 20 D5 AE 64 79 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000027964AED520, 40 bytes long.
 Data: <&#192;&#234;&#175;dy   &#224; &#176;dy   > C0 EA AF 64 79 02 00 00 E0 05 B0 64 79 02 00 00 
{70} normal block at 0x0000027964AFF510, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027964AFF380, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027964AFF600, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027964AFF7E0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027964AFF1F0, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027964AFF6A0, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027964AFF4C0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027964AFF6F0, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027964AFEB60, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027964AFF470, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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