Task 38683022

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND0684_0
Workunit 31624607
Created 27 Oct 2026, 10:05:41 UTC
Sent 27 Oct 2026, 10:05:45 UTC
Report deadline 1 Nov 2026, 10:05:45 UTC
Received 27 Oct 2026, 12:42:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 40 min 7 sec
CPU time 37 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.02 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
13:03:38 (2824): wrapper (7.9.26016): starting
13:03:38 (2824): 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
13:03:39 (2824): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:03:39 (2824): 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\17\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\17\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
13:42:13 (2824): C:/Windows/system32/cmd.exe exited; CPU time 2269.578125
13:42:13 (2824): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 39640969 bytes.
Dumping objects ->
{3835240} normal block at 0x000002285BCF49E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002285BCF4820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002285BCF4890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002285BCF4900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002285BCF4740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002285DAB6E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002285BD4AB00, 144 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) : {3835151} normal block at 0x000002285BCEE9B0, 8 bytes long.
 Data: <  $\(   > 00 00 24 5C 28 02 00 00 
{3834552} normal block at 0x000002285BD4B0B0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002285BCEE870, 8 bytes long.
 Data: <P&#235;&#147;](   > 50 EB 93 5D 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002285BCF0E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002285BCDF230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002285BCF5680, 16 bytes long.
 Data: <8d&#207;[(           > 38 64 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002285BCF59F0, 16 bytes long.
 Data: < d&#207;[(           > 10 64 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002285BCEF780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002285BCF5400, 16 bytes long.
 Data: <&#232;c&#207;[(           > E8 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002285BCF5BD0, 16 bytes long.
 Data: <&#192;c&#207;[(           > C0 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002285BCF5590, 16 bytes long.
 Data: < c&#207;[(           > 98 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002285BCF52C0, 16 bytes long.
 Data: <pc&#207;[(           > 70 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002285BCF4A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002285BCF5DB0, 16 bytes long.
 Data: <&#248;D&#207;[(           > F8 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002285BCEFD80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002285BCF5630, 16 bytes long.
 Data: <&#208;D&#207;[(           > D0 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002285BCF50E0, 16 bytes long.
 Data: <&#168;D&#207;[(           > A8 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002285BCF5090, 16 bytes long.
 Data: < D&#207;[(           > 80 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002285BCF5CC0, 16 bytes long.
 Data: <XD&#207;[(           > 58 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002285BCF53B0, 16 bytes long.
 Data: <0D&#207;[(           > 30 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002285BCF5860, 16 bytes long.
 Data: < D&#207;[(           > 08 44 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002285BCEFCC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002285BCF5360, 16 bytes long.
 Data: <&#224;C&#207;[(           > E0 43 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002285BCF43E0, 320 bytes long.
 Data: <`S&#207;[(   &#192;&#252;&#206;[(   > 60 53 CF 5B 28 02 00 00 C0 FC CE 5B 28 02 00 00 
{274} normal block at 0x000002285BCF5A90, 16 bytes long.
 Data: <Pc&#207;[(           > 50 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002285BCF5040, 16 bytes long.
 Data: <(c&#207;[(           > 28 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002285BCEFC00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002285BCF59A0, 16 bytes long.
 Data: < c&#207;[(           > 00 63 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002285BCEFBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002285BCF51D0, 16 bytes long.
 Data: <Hb&#207;[(           > 48 62 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002285BCF5A40, 16 bytes long.
 Data: < b&#207;[(           > 20 62 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002285BCF5EA0, 16 bytes long.
 Data: <&#248;a&#207;[(           > F8 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002285BCF5950, 16 bytes long.
 Data: <&#208;a&#207;[(           > D0 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002285BCF5310, 16 bytes long.
 Data: <&#168;a&#207;[(           > A8 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002285BCF5B80, 16 bytes long.
 Data: < a&#207;[(           > 80 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002285BCF5B30, 16 bytes long.
 Data: <`M&#207;[(           > 60 4D CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002285BCF4D60, 40 bytes long.
 Data: <0[&#207;[(    n&#171;](   > 30 5B CF 5B 28 02 00 00 80 6E AB 5D 28 02 00 00 
{260} normal block at 0x000002285BCF5EF0, 16 bytes long.
 Data: <`a&#207;[(           > 60 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002285BCF55E0, 16 bytes long.
 Data: <8a&#207;[(           > 38 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002285BCEF360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002285BCF5D10, 16 bytes long.
 Data: < a&#207;[(           > 10 61 CF 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002285BCF6110, 992 bytes long.
 Data: < ]&#207;[(   `&#243;&#206;[(   > 10 5D CF 5B 28 02 00 00 60 F3 CE 5B 28 02 00 00 
{92} normal block at 0x000002285BCEF8A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002285BCEEAF0, 16 bytes long.
 Data: < &#215;&#205;[(           > 20 D7 CD 5B 28 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002285BCDD720, 40 bytes long.
 Data: <&#240;&#234;&#206;[(   &#160;&#248;&#206;[(   > F0 EA CE 5B 28 02 00 00 A0 F8 CE 5B 28 02 00 00 
{69} normal block at 0x000002285BCEEFA0, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002285BCEE960, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002285BCEED70, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002285BCEEB90, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002285BCEE1E0, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002285BCEEE10, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002285BCEE550, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002285BCEEC80, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002285BCEE2D0, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002285BCEE500, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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