Task 38648480

Name test_283-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND3732_0
Workunit 31593181
Created 23 Oct 2026, 20:42:35 UTC
Sent 24 Oct 2026, 1:44:11 UTC
Report deadline 29 Oct 2026, 1:44:11 UTC
Received 24 Oct 2026, 21:06:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654379
Run time 48 min 22 sec
CPU time 48 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 611.91 MB
Peak swap size 13.00 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:33:29 (45304): wrapper (7.9.26016): starting
11:33:29 (45304): 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
11:33:30 (45304): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:33:30 (45304): 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\18\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\18\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
12:25:33 (45304): C:/Windows/system32/cmd.exe exited; CPU time 2902.125000
12:25:33 (45304): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 82356935 bytes.
Dumping objects ->
{3835262} normal block at 0x00000241D7BC5510, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000241D7BC4940, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000241D7BC5580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000241D7BC48D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000241D7BC49B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x00000241D7AEDD60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x00000241D5D9D880, 8 bytes long.
 Data: <  &#211;&#213;A   > 00 00 D3 D5 41 02 00 00 
{3833969} normal block at 0x00000241D5D9E2D0, 8 bytes long.
 Data: < &#229;&#231;&#213;A   > 80 E5 E7 D5 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000241D5DA1D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000241D5D96E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000241D5DA68A0, 16 bytes long.
 Data: < o&#218;&#213;A           > 08 6F DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000241D5DA5D10, 16 bytes long.
 Data: <&#224;n&#218;&#213;A           > E0 6E DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000241D5D9FD60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000241D5DA6B20, 16 bytes long.
 Data: <&#184;n&#218;&#213;A           > B8 6E DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000241D5DA61C0, 16 bytes long.
 Data: < n&#218;&#213;A           > 90 6E DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000241D5DA6AD0, 16 bytes long.
 Data: <hn&#218;&#213;A           > 68 6E DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000241D5DA69E0, 16 bytes long.
 Data: <@n&#218;&#213;A           > 40 6E DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000241D5DA4040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000241D5DA6670, 16 bytes long.
 Data: < &#241;&#217;&#213;A           > 98 F1 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000241D5D9F760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000241D5DA5F40, 16 bytes long.
 Data: <p&#241;&#217;&#213;A           > 70 F1 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000241D5DA6990, 16 bytes long.
 Data: <H&#241;&#217;&#213;A           > 48 F1 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000241D5DA60D0, 16 bytes long.
 Data: < &#241;&#217;&#213;A           > 20 F1 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000241D5DA5DB0, 16 bytes long.
 Data: <&#248;&#240;&#217;&#213;A           > F8 F0 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000241D5DA6080, 16 bytes long.
 Data: <&#208;&#240;&#217;&#213;A           > D0 F0 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000241D5DA6350, 16 bytes long.
 Data: <&#168;&#240;&#217;&#213;A           > A8 F0 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000241D5D9F580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000241D5DA6850, 16 bytes long.
 Data: < &#240;&#217;&#213;A           > 80 F0 D9 D5 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000241D5D9F080, 320 bytes long.
 Data: <Ph&#218;&#213;A    &#245;&#217;&#213;A   > 50 68 DA D5 41 02 00 00 80 F5 D9 D5 41 02 00 00 
{280} normal block at 0x00000241D5DA6030, 16 bytes long.
 Data: < n&#218;&#213;A           > 20 6E DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000241D5DA6170, 16 bytes long.
 Data: <&#248;m&#218;&#213;A           > F8 6D DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000241D5D9FB20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000241D5DA6A80, 16 bytes long.
 Data: <&#208;m&#218;&#213;A           > D0 6D DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000241D5D9FA00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000241D5DA6B70, 16 bytes long.
 Data: < m&#218;&#213;A           > 18 6D DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000241D5DA6A30, 16 bytes long.
 Data: <&#240;l&#218;&#213;A           > F0 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000241D5DA6800, 16 bytes long.
 Data: <&#200;l&#218;&#213;A           > C8 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000241D5DA5D60, 16 bytes long.
 Data: <&#160;l&#218;&#213;A           > A0 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000241D5DA5FE0, 16 bytes long.
 Data: <xl&#218;&#213;A           > 78 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000241D5DA6620, 16 bytes long.
 Data: <Pl&#218;&#213;A           > 50 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000241D5DA5E50, 16 bytes long.
 Data: <PC&#218;&#213;A           > 50 43 DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000241D5DA4350, 40 bytes long.
 Data: <P^&#218;&#213;A   `&#221;&#174;&#215;A   > 50 5E DA D5 41 02 00 00 60 DD AE D7 41 02 00 00 
{266} normal block at 0x00000241D5DA6530, 16 bytes long.
 Data: <0l&#218;&#213;A           > 30 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000241D5DA6760, 16 bytes long.
 Data: < l&#218;&#213;A           > 08 6C DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000241D5D9FEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000241D5DA67B0, 16 bytes long.
 Data: <&#224;k&#218;&#213;A           > E0 6B DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000241D5DA6BE0, 992 bytes long.
 Data: <&#176;g&#218;&#213;A   &#224;&#254;&#217;&#213;A   > B0 67 DA D5 41 02 00 00 E0 FE D9 D5 41 02 00 00 
{98} normal block at 0x00000241D5D9FD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000241D5D9DD80, 16 bytes long.
 Data: <&#208;?&#218;&#213;A           > D0 3F DA D5 41 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000241D5DA3FD0, 40 bytes long.
 Data: < &#221;&#217;&#213;A    &#253;&#217;&#213;A   > 80 DD D9 D5 41 02 00 00 00 FD D9 D5 41 02 00 00 
{75} normal block at 0x00000241D5D9DA10, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 1C 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000241D5D9DB00, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 1C 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000241D5D9E410, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000241D5D9E500, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000241D5D9D830, 16 bytes long.
 Data: <P   &#246;           > 50 04 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000241D5D9DE70, 16 bytes long.
 Data: <0   &#246;           > 30 04 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000241D5D9E0F0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000241D5D9D740, 16 bytes long.
 Data: <    &#246;           > 10 04 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000241D5D9E370, 16 bytes long.
 Data: <p   &#246;           > 70 04 19 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000241D5D9E050, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 17 80 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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