Task 38681538

Name test_874-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1327_0
Workunit 31623199
Created 27 Oct 2026, 4:23:24 UTC
Sent 27 Oct 2026, 4:23:28 UTC
Report deadline 1 Nov 2026, 4:23:28 UTC
Received 27 Oct 2026, 6:20:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 29 min 3 sec
CPU time 27 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.33 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:51:08 (9148): wrapper (7.9.26016): starting
14:51:08 (9148): 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
14:51:09 (9148): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:51:09 (9148): 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
15:19:28 (9148): C:/Windows/system32/cmd.exe exited; CPU time 1628.531250
15:19:28 (9148): 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: 39219419 bytes.
Dumping objects ->
{3835380} normal block at 0x0000015711752090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x0000015711751A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x0000015711752020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x0000015711751920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x0000015711752100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000001571167A550, 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) : {3835292} normal block at 0x000001570DC5DA00, 8 bytes long.
 Data: <    W   > 00 00 86 0F 57 01 00 00 
{3834077} normal block at 0x000001570DC5D960, 8 bytes long.
 Data: < ,r W   > E0 2C 72 11 57 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001570DC4E2B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001570DC474E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001570DC5D730, 16 bytes long.
 Data: <8&#209;&#197; W           > 38 D1 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001570DC5D280, 16 bytes long.
 Data: < &#209;&#197; W           > 10 D1 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001570DC55CC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001570DC5D6E0, 16 bytes long.
 Data: < &#208;&#197; W           > E8 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001570DC5D550, 16 bytes long.
 Data: <&#192;&#208;&#197; W           > C0 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001570DC592C0, 16 bytes long.
 Data: < &#208;&#197; W           > 98 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001570DC59A40, 16 bytes long.
 Data: <p&#208;&#197; W           > 70 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001570DC58040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001570DC59E00, 16 bytes long.
 Data: < w&#197; W           > 88 77 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001570DC55DE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001570DC59DB0, 16 bytes long.
 Data: <`w&#197; W           > 60 77 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001570DC59F40, 16 bytes long.
 Data: <8w&#197; W           > 38 77 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001570DC59270, 16 bytes long.
 Data: < w&#197; W           > 10 77 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001570DC59CC0, 16 bytes long.
 Data: < v&#197; W           > E8 76 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001570DC59360, 16 bytes long.
 Data: <&#192;v&#197; W           > C0 76 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001570DC59950, 16 bytes long.
 Data: < v&#197; W           > 98 76 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001570DC55840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001570DC598B0, 16 bytes long.
 Data: <pv&#197; W           > 70 76 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001570DC57670, 320 bytes long.
 Data: <&#176; &#197; W   @X&#197; W   > B0 98 C5 0D 57 01 00 00 40 58 C5 0D 57 01 00 00 
{281} normal block at 0x000001570DC596D0, 16 bytes long.
 Data: <P&#208;&#197; W           > 50 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001570DC59C70, 16 bytes long.
 Data: <(&#208;&#197; W           > 28 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001570DC557E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001570DC59C20, 16 bytes long.
 Data: < &#208;&#197; W           > 00 D0 C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001570DC55780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001570DC599F0, 16 bytes long.
 Data: <H&#207;&#197; W           > 48 CF C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001570DC59900, 16 bytes long.
 Data: < &#207;&#197; W           > 20 CF C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001570DC59860, 16 bytes long.
 Data: < &#206;&#197; W           > F8 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001570DC595E0, 16 bytes long.
 Data: <&#208;&#206;&#197; W           > D0 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001570DC594A0, 16 bytes long.
 Data: <&#168;&#206;&#197; W           > A8 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001570DC59810, 16 bytes long.
 Data: < &#206;&#197; W           > 80 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001570DC59B80, 16 bytes long.
 Data: < }&#197; W           > A0 7D C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001570DC57DA0, 40 bytes long.
 Data: <  &#197; W   P&#165;g W   > 80 9B C5 0D 57 01 00 00 50 A5 67 11 57 01 00 00 
{267} normal block at 0x000001570DC59770, 16 bytes long.
 Data: <`&#206;&#197; W           > 60 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001570DC59B30, 16 bytes long.
 Data: <8&#206;&#197; W           > 38 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001570DC55E40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001570DC59720, 16 bytes long.
 Data: < &#206;&#197; W           > 10 CE C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001570DC5CE10, 992 bytes long.
 Data: <  &#197; W   @^&#197; W   > 20 97 C5 0D 57 01 00 00 40 5E C5 0D 57 01 00 00 
{99} normal block at 0x000001570DC562C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001570DC59D60, 16 bytes long.
 Data: <0}&#197; W           > 30 7D C5 0D 57 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001570DC57D30, 40 bytes long.
 Data: <` &#197; W   &#192;b&#197; W   > 60 9D C5 0D 57 01 00 00 C0 62 C5 0D 57 01 00 00 
{74} normal block at 0x000001570DC59EA0, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001570DC59AE0, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001570DC59630, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001570DC59FE0, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001570DC59310, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001570DC599A0, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001570DC4B510, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001570DC4B600, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001570DC4B4C0, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001570DC4B470, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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