Task 38689681

Name test_681-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5758_0
Workunit 31630914
Created 28 Oct 2026, 22:51:44 UTC
Sent 28 Oct 2026, 22:51:50 UTC
Report deadline 2 Nov 2026, 22:51:50 UTC
Received 28 Oct 2026, 23:46:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 32 min 46 sec
CPU time 21 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.46 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:13:39 (16672): wrapper (7.9.26016): starting
16:13:39 (16672): 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
16:13:40 (16672): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:13:40 (16672): 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\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 'C:\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
16:45:30 (16672): C:/Windows/system32/cmd.exe exited; CPU time 1293.203125
16:45:30 (16672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26653225 bytes.
Dumping objects ->
{3835240} normal block at 0x00000209A2354C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000209A2354C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000209A2354D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000209A2354BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000209A2354AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x00000209A4018000, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000209A3F40AB0, 155 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) : {3835151} normal block at 0x00000209A234EF70, 8 bytes long.
 Data: <  -&#162;	   > 00 00 2D A2 09 02 00 00 
{3834548} normal block at 0x00000209A3F40810, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000209A234F830, 8 bytes long.
 Data: <&#176;&#227;&#242;&#163;	   > B0 E3 F2 A3 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000209A23509F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000209A23461F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000209A23560D0, 16 bytes long.
 Data: <&#184;i5&#162;	           > B8 69 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000209A2355C20, 16 bytes long.
 Data: < i5&#162;	           > 90 69 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000209A234FF20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000209A2355FE0, 16 bytes long.
 Data: <hi5&#162;	           > 68 69 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000209A2355810, 16 bytes long.
 Data: <@i5&#162;	           > 40 69 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000209A2356170, 16 bytes long.
 Data: < i5&#162;	           > 18 69 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000209A2355E50, 16 bytes long.
 Data: <&#240;h5&#162;	           > F0 68 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000209A23549F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000209A2356120, 16 bytes long.
 Data: <&#248;&#181;3&#162;	           > F8 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000209A234FC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000209A2355F90, 16 bytes long.
 Data: <&#208;&#181;3&#162;	           > D0 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000209A2356300, 16 bytes long.
 Data: <&#168;&#181;3&#162;	           > A8 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000209A2355E00, 16 bytes long.
 Data: < &#181;3&#162;	           > 80 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000209A2356530, 16 bytes long.
 Data: <X&#181;3&#162;	           > 58 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000209A23557C0, 16 bytes long.
 Data: <0&#181;3&#162;	           > 30 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000209A2355DB0, 16 bytes long.
 Data: < &#181;3&#162;	           > 08 B5 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000209A234FF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000209A2356210, 16 bytes long.
 Data: <&#224;&#180;3&#162;	           > E0 B4 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000209A233B4E0, 320 bytes long.
 Data: < b5&#162;	    &#255;4&#162;	   > 10 62 35 A2 09 02 00 00 80 FF 34 A2 09 02 00 00 
{274} normal block at 0x00000209A2355C70, 16 bytes long.
 Data: <&#208;h5&#162;	           > D0 68 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000209A2356490, 16 bytes long.
 Data: <&#168;h5&#162;	           > A8 68 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000209A2350880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000209A2356350, 16 bytes long.
 Data: < h5&#162;	           > 80 68 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000209A2350280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000209A2355950, 16 bytes long.
 Data: <&#200;g5&#162;	           > C8 67 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000209A2356580, 16 bytes long.
 Data: <&#160;g5&#162;	           > A0 67 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000209A2355F40, 16 bytes long.
 Data: <xg5&#162;	           > 78 67 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000209A23561C0, 16 bytes long.
 Data: <Pg5&#162;	           > 50 67 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000209A2355EF0, 16 bytes long.
 Data: <(g5&#162;	           > 28 67 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000209A2355D60, 16 bytes long.
 Data: < g5&#162;	           > 00 67 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000209A2355900, 16 bytes long.
 Data: <0O5&#162;	           > 30 4F 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000209A2354F30, 40 bytes long.
 Data: < Y5&#162;	      &#164;	   > 00 59 35 A2 09 02 00 00 00 80 01 A4 09 02 00 00 
{260} normal block at 0x00000209A2355720, 16 bytes long.
 Data: <&#224;f5&#162;	           > E0 66 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000209A2355EA0, 16 bytes long.
 Data: <&#184;f5&#162;	           > B8 66 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000209A234FD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000209A23558B0, 16 bytes long.
 Data: < f5&#162;	           > 90 66 35 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000209A2356690, 992 bytes long.
 Data: <&#176;X5&#162;	   @&#253;4&#162;	   > B0 58 35 A2 09 02 00 00 40 FD 34 A2 09 02 00 00 
{92} normal block at 0x00000209A234FAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000209A234EE80, 16 bytes long.
 Data: <&#192;&#199;3&#162;	           > C0 C7 33 A2 09 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000209A233C7C0, 40 bytes long.
 Data: < &#238;4&#162;	   &#160;&#250;4&#162;	   > 80 EE 34 A2 09 02 00 00 A0 FA 34 A2 09 02 00 00 
{69} normal block at 0x00000209A234F1F0, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000209A234F740, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000209A234F1A0, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000209A234F6F0, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000209A234ECA0, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000209A234E9D0, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000209A234F510, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000209A234EC50, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000209A234EED0, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000209A234F150, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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