Task 38688728

Name test_821-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6755_0
Workunit 31630052
Created 28 Oct 2026, 15:48:30 UTC
Sent 28 Oct 2026, 15:48:36 UTC
Report deadline 2 Nov 2026, 15:48:36 UTC
Received 28 Oct 2026, 17:19:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 30 min 30 sec
CPU time 20 min 55 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 750.60 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>
09:43:35 (27408): wrapper (7.9.26016): starting
09:43:35 (27408): 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
09:43:36 (27408): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:43:36 (27408): 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\1\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\1\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
10:13:17 (27408): C:/Windows/system32/cmd.exe exited; CPU time 1255.890625
10:13:17 (27408): 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: 25720425 bytes.
Dumping objects ->
{3835569} normal block at 0x0000024178F8C850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000241772F4900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000241772F4660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000241772F4890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000241772F45F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000024178FDA1C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000024177319620, 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) : {3835480} normal block at 0x00000241772EE040, 8 bytes long.
 Data: <  ,wA   > 00 00 2C 77 41 02 00 00 
{3834699} normal block at 0x00000241773199A0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000241772EEB80, 8 bytes long.
 Data: <`K yA   > 60 4B 06 79 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000241772F0C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000241772E5B60, 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 0x00000241772F52C0, 16 bytes long.
 Data: < _/wA           > 18 5F 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000241772F5540, 16 bytes long.
 Data: <&#240;^/wA           > F0 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000241772EF4C0, 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 0x00000241772F4C30, 16 bytes long.
 Data: <&#200;^/wA           > C8 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000241772F5180, 16 bytes long.
 Data: <&#160;^/wA           > A0 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000241772F5040, 16 bytes long.
 Data: <x^/wA           > 78 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000241772F4F50, 16 bytes long.
 Data: <P^/wA           > 50 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000241772F4430, 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 0x00000241772F57C0, 16 bytes long.
 Data: <x&#221;.wA           > 78 DD 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000241772EFAC0, 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 0x00000241772F5900, 16 bytes long.
 Data: <P&#221;.wA           > 50 DD 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000241772F4D70, 16 bytes long.
 Data: <(&#221;.wA           > 28 DD 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000241772F56D0, 16 bytes long.
 Data: < &#221;.wA           > 00 DD 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000241772F5AE0, 16 bytes long.
 Data: <&#216;&#220;.wA           > D8 DC 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000241772F58B0, 16 bytes long.
 Data: <&#176;&#220;.wA           > B0 DC 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000241772F5220, 16 bytes long.
 Data: < &#220;.wA           > 88 DC 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000241772EF640, 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 0x00000241772F54A0, 16 bytes long.
 Data: <`&#220;.wA           > 60 DC 2E 77 41 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000241772EDC60, 320 bytes long.
 Data: <&#160;T/wA   @&#246;.wA   > A0 54 2F 77 41 02 00 00 40 F6 2E 77 41 02 00 00 
{276} normal block at 0x00000241772F5950, 16 bytes long.
 Data: <0^/wA           > 30 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000241772F5B80, 16 bytes long.
 Data: < ^/wA           > 08 5E 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000241772EF9A0, 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 0x00000241772F5360, 16 bytes long.
 Data: <&#224;]/wA           > E0 5D 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000241772EF5E0, 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 0x00000241772F5A40, 16 bytes long.
 Data: <(]/wA           > 28 5D 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000241772F5860, 16 bytes long.
 Data: < ]/wA           > 00 5D 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000241772F4D20, 16 bytes long.
 Data: <&#216;\/wA           > D8 5C 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000241772F4EB0, 16 bytes long.
 Data: <&#176;\/wA           > B0 5C 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000241772F4E60, 16 bytes long.
 Data: < \/wA           > 88 5C 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000241772F5A90, 16 bytes long.
 Data: <`\/wA           > 60 5C 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000241772F55E0, 16 bytes long.
 Data: <&#192;C/wA           > C0 43 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000241772F43C0, 40 bytes long.
 Data: <&#224;U/wA   &#192;&#161;&#253;xA   > E0 55 2F 77 41 02 00 00 C0 A1 FD 78 41 02 00 00 
{262} normal block at 0x00000241772F5310, 16 bytes long.
 Data: <@\/wA           > 40 5C 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000241772F5810, 16 bytes long.
 Data: < \/wA           > 18 5C 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000241772EFA00, 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 0x00000241772F4CD0, 16 bytes long.
 Data: <&#240;[/wA           > F0 5B 2F 77 41 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000241772F5BF0, 992 bytes long.
 Data: <&#208;L/wA    &#250;.wA   > D0 4C 2F 77 41 02 00 00 00 FA 2E 77 41 02 00 00 
{94} normal block at 0x00000241772EF700, 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 0x00000241772EE9A0, 16 bytes long.
 Data: <&#176;&#239;-wA           > B0 EF 2D 77 41 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000241772DEFB0, 40 bytes long.
 Data: <&#160;&#233;.wA    &#247;.wA   > A0 E9 2E 77 41 02 00 00 00 F7 2E 77 41 02 00 00 
{71} normal block at 0x00000241772EDFA0, 16 bytes long.
 Data: < &#234;#A&#247;           > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000241772EDEB0, 16 bytes long.
 Data: <@&#233;#A&#247;           > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000241772EEAE0, 16 bytes long.
 Data: <&#248;W A&#247;           > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000241772EEA90, 16 bytes long.
 Data: <&#216;W A&#247;           > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000241772EE680, 16 bytes long.
 Data: <P  A&#247;           > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000241772EE3B0, 16 bytes long.
 Data: <0  A&#247;           > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000241772EE720, 16 bytes long.
 Data: <&#224;  A&#247;           > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000241772EEB30, 16 bytes long.
 Data: <   A&#247;           > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000241772EE0E0, 16 bytes long.
 Data: <p  A&#247;           > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000241772EDF00, 16 bytes long.
 Data: < &#192; A&#247;           > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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