Task 38649536

Name test_734-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND8665_0
Workunit 31594159
Created 23 Oct 2026, 21:33:19 UTC
Sent 23 Oct 2026, 21:46:32 UTC
Report deadline 28 Oct 2026, 21:46:32 UTC
Received 23 Oct 2026, 22:54:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 52 min 50 sec
CPU time 49 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.51 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:02:31 (12860): wrapper (7.9.26016): starting
17:02:31 (12860): 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
17:02:32 (12860): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:02:32 (12860): 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\2\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\2\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
17:54:03 (12860): C:/Windows/system32/cmd.exe exited; CPU time 2953.062500
17:54:03 (12860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 54739737 bytes.
Dumping objects ->
{3835229} normal block at 0x000001D1B3DEDAE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001D1B2285580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001D1B2285190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000001D1B2285200, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001D1B2285270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000001D1B3E34BB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000001D1B3E4F710, 102 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) : {3835140} normal block at 0x000001D1B227F8E0, 8 bytes long.
 Data: <  #&#178;&#209;   > 00 00 23 B2 D1 01 00 00 
{3834541} normal block at 0x000001D1B3E4F450, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001D1B227F430, 8 bytes long.
 Data: <&#224;H(&#178;&#209;   > E0 48 28 B2 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D1B2281E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D1B2276BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001D1B2285C60, 16 bytes long.
 Data: <Xn(&#178;&#209;           > 58 6E 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D1B2285F80, 16 bytes long.
 Data: <0n(&#178;&#209;           > 30 6E 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D1B2280870, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001D1B22865C0, 16 bytes long.
 Data: < n(&#178;&#209;           > 08 6E 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D1B22863E0, 16 bytes long.
 Data: <&#224;m(&#178;&#209;           > E0 6D 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1B2286930, 16 bytes long.
 Data: <&#184;m(&#178;&#209;           > B8 6D 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1B2286250, 16 bytes long.
 Data: < m(&#178;&#209;           > 90 6D 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D1B22853C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001D1B22864D0, 16 bytes long.
 Data: <&#184;&#147;'&#178;&#209;           > B8 93 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1B2280ED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001D1B2286340, 16 bytes long.
 Data: < &#147;'&#178;&#209;           > 90 93 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1B2286A70, 16 bytes long.
 Data: <h&#147;'&#178;&#209;           > 68 93 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D1B2286890, 16 bytes long.
 Data: <@&#147;'&#178;&#209;           > 40 93 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D1B2285DA0, 16 bytes long.
 Data: < &#147;'&#178;&#209;           > 18 93 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D1B2286750, 16 bytes long.
 Data: <&#240;&#146;'&#178;&#209;           > F0 92 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D1B2285C10, 16 bytes long.
 Data: <&#200;&#146;'&#178;&#209;           > C8 92 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1B2280B70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001D1B2285F30, 16 bytes long.
 Data: <&#160;&#146;'&#178;&#209;           > A0 92 27 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1B22792A0, 320 bytes long.
 Data: <0_(&#178;&#209;   p (&#178;&#209;   > 30 5F 28 B2 D1 01 00 00 70 0B 28 B2 D1 01 00 00 
{277} normal block at 0x000001D1B2285DF0, 16 bytes long.
 Data: <pm(&#178;&#209;           > 70 6D 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1B22862A0, 16 bytes long.
 Data: <Hm(&#178;&#209;           > 48 6D 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1B2280030, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001D1B2285BC0, 16 bytes long.
 Data: < m(&#178;&#209;           > 20 6D 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1B2280390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001D1B2286200, 16 bytes long.
 Data: <hl(&#178;&#209;           > 68 6C 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1B22861B0, 16 bytes long.
 Data: <@l(&#178;&#209;           > 40 6C 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1B2285B70, 16 bytes long.
 Data: < l(&#178;&#209;           > 18 6C 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D1B2286160, 16 bytes long.
 Data: <&#240;k(&#178;&#209;           > F0 6B 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1B22867F0, 16 bytes long.
 Data: <&#200;k(&#178;&#209;           > C8 6B 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D1B2286110, 16 bytes long.
 Data: <&#160;k(&#178;&#209;           > A0 6B 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1B2286390, 16 bytes long.
 Data: <&#224;R(&#178;&#209;           > E0 52 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1B22852E0, 40 bytes long.
 Data: < c(&#178;&#209;   &#176;K&#227;&#179;&#209;   > 90 63 28 B2 D1 01 00 00 B0 4B E3 B3 D1 01 00 00 
{263} normal block at 0x000001D1B2285E90, 16 bytes long.
 Data: < k(&#178;&#209;           > 80 6B 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1B2285EE0, 16 bytes long.
 Data: <Xk(&#178;&#209;           > 58 6B 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D1B2280630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001D1B22860C0, 16 bytes long.
 Data: <0k(&#178;&#209;           > 30 6B 28 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D1B2286B30, 992 bytes long.
 Data: <&#192;`(&#178;&#209;   0 (&#178;&#209;   > C0 60 28 B2 D1 01 00 00 30 06 28 B2 D1 01 00 00 
{95} normal block at 0x000001D1B2280F30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001D1B227F6B0, 16 bytes long.
 Data: <`&#223;&&#178;&#209;           > 60 DF 26 B2 D1 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D1B226DF60, 40 bytes long.
 Data: <&#176;&#246;'&#178;&#209;   0 (&#178;&#209;   > B0 F6 27 B2 D1 01 00 00 30 0F 28 B2 D1 01 00 00 
{72} normal block at 0x000001D1B227F4D0, 16 bytes long.
 Data: < &#234;cX&#247;           > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D1B227F980, 16 bytes long.
 Data: <@&#233;cX&#247;           > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D1B227F390, 16 bytes long.
 Data: <&#248;W`X&#247;           > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D1B227F110, 16 bytes long.
 Data: <&#216;W`X&#247;           > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D1B227F660, 16 bytes long.
 Data: <P `X&#247;           > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D1B227FD90, 16 bytes long.
 Data: <0 `X&#247;           > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D1B227FD40, 16 bytes long.
 Data: <&#224; `X&#247;           > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D1B227F0C0, 16 bytes long.
 Data: <  `X&#247;           > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D1B227FE80, 16 bytes long.
 Data: <p `X&#247;           > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D1B227FCA0, 16 bytes long.
 Data: < &#192;^X&#247;           > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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