Task 38681446

Name test_772-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND3966_0
Workunit 31623111
Created 27 Oct 2026, 4:02:00 UTC
Sent 27 Oct 2026, 4:02:02 UTC
Report deadline 1 Nov 2026, 4:02:02 UTC
Received 27 Oct 2026, 4:57:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 18 min 9 sec
CPU time 16 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.86 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:39:31 (41692): wrapper (7.9.26016): starting
23:39:31 (41692): 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
23:39:32 (41692): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:39:32 (41692): 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\0\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\0\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
23:56:57 (41692): C:/Windows/system32/cmd.exe exited; CPU time 1018.640625
23:56:57 (41692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 22798111 bytes.
Dumping objects ->
{3835289} normal block at 0x0000021D87284500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000021D87284AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000021D872848F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x0000021D87284420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000021D87284A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x0000021D8901B710, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000021D872DDB00, 135 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) : {3835200} normal block at 0x0000021D8727FEF0, 8 bytes long.
 Data: <  j&#135;    > 00 00 6A 87 1D 02 00 00 
{3834577} normal block at 0x0000021D872DD480, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000021D8727FA40, 8 bytes long.
 Data: < J&#252;     > 10 4A FC 88 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021D87280B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021D872768B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021D87285A60, 16 bytes long.
 Data: <&#184;T(&#135;            > B8 54 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021D872858D0, 16 bytes long.
 Data: < T(&#135;            > 90 54 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021D8727F080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021D87285F60, 16 bytes long.
 Data: <hT(&#135;            > 68 54 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021D87285C40, 16 bytes long.
 Data: <@T(&#135;            > 40 54 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021D87285BA0, 16 bytes long.
 Data: < T(&#135;            > 18 54 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021D87285880, 16 bytes long.
 Data: <&#240;S(&#135;            > F0 53 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021D87284810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021D872859C0, 16 bytes long.
 Data: <&#200;&#142;'&#135;            > C8 8E 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021D8727E840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021D87285600, 16 bytes long.
 Data: <&#160;&#142;'&#135;            > A0 8E 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021D87286410, 16 bytes long.
 Data: <x&#142;'&#135;            > 78 8E 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021D87286550, 16 bytes long.
 Data: <P&#142;'&#135;            > 50 8E 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021D87286190, 16 bytes long.
 Data: <(&#142;'&#135;            > 28 8E 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021D87285B50, 16 bytes long.
 Data: < &#142;'&#135;            > 00 8E 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021D87285970, 16 bytes long.
 Data: <&#216; '&#135;            > D8 8D 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D8727ED20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021D87285BF0, 16 bytes long.
 Data: <&#176; '&#135;            > B0 8D 27 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021D87278DB0, 320 bytes long.
 Data: <&#240;[(&#135;     &#237;'&#135;    > F0 5B 28 87 1D 02 00 00 20 ED 27 87 1D 02 00 00 
{273} normal block at 0x0000021D87286460, 16 bytes long.
 Data: <&#208;S(&#135;            > D0 53 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021D87285AB0, 16 bytes long.
 Data: <&#168;S(&#135;            > A8 53 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021D8727EF00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021D87285FB0, 16 bytes long.
 Data: < S(&#135;            > 80 53 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021D8727EA20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021D87286050, 16 bytes long.
 Data: <&#200;R(&#135;            > C8 52 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021D87285B00, 16 bytes long.
 Data: <&#160;R(&#135;            > A0 52 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021D872860F0, 16 bytes long.
 Data: <xR(&#135;            > 78 52 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021D872857E0, 16 bytes long.
 Data: <PR(&#135;            > 50 52 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021D87280030, 16 bytes long.
 Data: <(R(&#135;            > 28 52 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021D8727F630, 16 bytes long.
 Data: < R(&#135;            > 00 52 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021D8727F770, 16 bytes long.
 Data: <&#160;G(&#135;            > A0 47 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021D872847A0, 40 bytes long.
 Data: <p&#247;'&#135;     &#183; &#137;    > 70 F7 27 87 1D 02 00 00 10 B7 01 89 1D 02 00 00 
{259} normal block at 0x0000021D8727FFE0, 16 bytes long.
 Data: <&#224;Q(&#135;            > E0 51 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021D8727F4F0, 16 bytes long.
 Data: <&#184;Q(&#135;            > B8 51 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021D8727E540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021D872802B0, 16 bytes long.
 Data: < Q(&#135;            > 90 51 28 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021D87285190, 992 bytes long.
 Data: <&#176; (&#135;    @&#229;'&#135;    > B0 02 28 87 1D 02 00 00 40 E5 27 87 1D 02 00 00 
{91} normal block at 0x0000021D8727E600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021D87280210, 16 bytes long.
 Data: <&#160;&#227;&&#135;            > A0 E3 26 87 1D 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021D8726E3A0, 40 bytes long.
 Data: <  (&#135;     &#230;'&#135;    > 10 02 28 87 1D 02 00 00 00 E6 27 87 1D 02 00 00 
{68} normal block at 0x0000021D8727FE50, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021D8727FB80, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021D8727F9F0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021D8727F720, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021D8727FDB0, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021D8727F810, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D8727FC70, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021D8727FB30, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021D8727FD10, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021D8727FD60, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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