Task 38677979

Name test_196-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2306_0
Workunit 31619825
Created 26 Oct 2026, 16:00:57 UTC
Sent 26 Oct 2026, 16:01:01 UTC
Report deadline 31 Oct 2026, 16:01:01 UTC
Received 26 Oct 2026, 17:33:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 38 min 34 sec
CPU time 35 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.86 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:55:01 (21968): wrapper (7.9.26016): starting
12:55:01 (21968): 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
12:55:04 (21968): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:55:04 (21968): 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\16\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\16\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
13:31:46 (21968): C:/Windows/system32/cmd.exe exited; CPU time 2120.906250
13:31:46 (21968): 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: 39449587 bytes.
Dumping objects ->
{3835262} normal block at 0x0000017963E1DF90, 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 0x0000017963E1DDD0, 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 0x0000017963E1E230, 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 0x0000017962094A20, 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 0x00000179620949B0, 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 0x0000017963D8C4E0, 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 0x000001796208F9A0, 8 bytes long.
 Data: <  Xby   > 00 00 58 62 79 01 00 00 
{3833959} normal block at 0x000001796208F630, 8 bytes long.
 Data: < &#208;&#225;cy   > 10 D0 E1 63 79 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000017962090F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017962085BF0, 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 0x00000179620961C0, 16 bytes long.
 Data: <&#168;S	by           > A8 53 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017962096170, 16 bytes long.
 Data: < S	by           > 80 53 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001796208E900, 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 0x0000017962095AE0, 16 bytes long.
 Data: <XS	by           > 58 53 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017962096030, 16 bytes long.
 Data: <0S	by           > 30 53 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017962096210, 16 bytes long.
 Data: < S	by           > 08 53 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017962095770, 16 bytes long.
 Data: <&#224;R	by           > E0 52 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017962094780, 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 0x0000017962095EF0, 16 bytes long.
 Data: < &#224; by           > 18 E0 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001796208E8A0, 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 0x00000179620956D0, 16 bytes long.
 Data: <&#240;&#223; by           > F0 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017962095EA0, 16 bytes long.
 Data: <&#200;&#223; by           > C8 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017962095A40, 16 bytes long.
 Data: <&#160;&#223; by           > A0 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000179620959F0, 16 bytes long.
 Data: <x&#223; by           > 78 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017962095F40, 16 bytes long.
 Data: <P&#223; by           > 50 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017962095FE0, 16 bytes long.
 Data: <(&#223; by           > 28 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001796208E540, 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 0x0000017962096300, 16 bytes long.
 Data: < &#223; by           > 00 DF 08 62 79 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001796208DF00, 320 bytes long.
 Data: < c	by   @&#229; by   > 00 63 09 62 79 01 00 00 40 E5 08 62 79 01 00 00 
{275} normal block at 0x00000179620963F0, 16 bytes long.
 Data: <&#192;R	by           > C0 52 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017962095A90, 16 bytes long.
 Data: < R	by           > 98 52 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001796208E240, 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 0x0000017962095D60, 16 bytes long.
 Data: <pR	by           > 70 52 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001796208ECC0, 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 0x0000017962095630, 16 bytes long.
 Data: <&#184;Q	by           > B8 51 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000179620958B0, 16 bytes long.
 Data: < Q	by           > 90 51 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017962095720, 16 bytes long.
 Data: <hQ	by           > 68 51 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017962095540, 16 bytes long.
 Data: <@Q	by           > 40 51 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017962096440, 16 bytes long.
 Data: < Q	by           > 18 51 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001796208FE00, 16 bytes long.
 Data: <&#240;P	by           > F0 50 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001796208FD10, 16 bytes long.
 Data: <&#192;E	by           > C0 45 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000179620945C0, 40 bytes long.
 Data: < &#253; by   &#224;&#196;&#216;cy   > 10 FD 08 62 79 01 00 00 E0 C4 D8 63 79 01 00 00 
{261} normal block at 0x000001796208F950, 16 bytes long.
 Data: <&#208;P	by           > D0 50 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001796208F7C0, 16 bytes long.
 Data: <&#168;P	by           > A8 50 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001796208EE40, 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 0x000001796208FCC0, 16 bytes long.
 Data: < P	by           > 80 50 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017962095080, 992 bytes long.
 Data: <&#192;&#252; by   @&#238; by   > C0 FC 08 62 79 01 00 00 40 EE 08 62 79 01 00 00 
{93} normal block at 0x000001796208EB40, 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 0x000001796208FE50, 16 bytes long.
 Data: <&#208;H	by           > D0 48 09 62 79 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000179620948D0, 40 bytes long.
 Data: <P&#254; by   @&#235; by   > 50 FE 08 62 79 01 00 00 40 EB 08 62 79 01 00 00 
{70} normal block at 0x000001796208F220, 16 bytes long.
 Data: < &#234; I&#246;           > 80 EA 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001796208F810, 16 bytes long.
 Data: <@&#233; I&#246;           > 40 E9 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001796208FBD0, 16 bytes long.
 Data: <&#248;W|I&#246;           > F8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001796208FDB0, 16 bytes long.
 Data: <&#216;W|I&#246;           > D8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001796208F8B0, 16 bytes long.
 Data: <P |I&#246;           > 50 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001796208F1D0, 16 bytes long.
 Data: <0 |I&#246;           > 30 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001796208FEF0, 16 bytes long.
 Data: <&#224; |I&#246;           > E0 02 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001796208F4F0, 16 bytes long.
 Data: <  |I&#246;           > 10 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001796208F860, 16 bytes long.
 Data: <p |I&#246;           > 70 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001796208F450, 16 bytes long.
 Data: < &#192;zI&#246;           > 18 C0 7A 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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