Task 38683542

Name test_266-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3525_0
Workunit 31625096
Created 27 Oct 2026, 12:13:18 UTC
Sent 27 Oct 2026, 12:13:21 UTC
Report deadline 1 Nov 2026, 12:13:21 UTC
Received 27 Oct 2026, 13:20:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 45 min 47 sec
CPU time 41 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.67 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:35:53 (32224): wrapper (7.9.26016): starting
13:35:53 (32224): 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
13:35:56 (32224): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:35:56 (32224): 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\10\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\10\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
14:20:10 (32224): C:/Windows/system32/cmd.exe exited; CPU time 2478.687500
14:20:10 (32224): 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: 54762827 bytes.
Dumping objects ->
{3835277} normal block at 0x000001E6247A6CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001E6247A6F80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001E6247A6810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001E6247A6340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001E6229E76B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001E6246CF670, 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) : {3835189} normal block at 0x000001E6229DC140, 8 bytes long.
 Data: <  &#235;"&#230;   > 00 00 EB 22 E6 01 00 00 
{3833985} normal block at 0x000001E6229DBCE0, 8 bytes long.
 Data: <&#240;&#189;v$&#230;   > F0 BD 76 24 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001E6229E15E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E6229D8930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001E6229E7E90, 16 bytes long.
 Data: < &#139;&#158;"&#230;           > 88 8B 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001E6229E7D00, 16 bytes long.
 Data: <`&#139;&#158;"&#230;           > 60 8B 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E6229E3920, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001E6229E8480, 16 bytes long.
 Data: <8&#139;&#158;"&#230;           > 38 8B 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E6229E7DF0, 16 bytes long.
 Data: < &#139;&#158;"&#230;           > 10 8B 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E6229E8750, 16 bytes long.
 Data: <&#232;&#138;&#158;"&#230;           > E8 8A 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001E6229E7D50, 16 bytes long.
 Data: <&#192;&#138;&#158;"&#230;           > C0 8A 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E6229E7090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001E6229E83E0, 16 bytes long.
 Data: <&#168;.&#158;"&#230;           > A8 2E 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E6229E3C80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001E6229E7CB0, 16 bytes long.
 Data: < .&#158;"&#230;           > 80 2E 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E6229E7EE0, 16 bytes long.
 Data: <X.&#158;"&#230;           > 58 2E 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E6229E7B70, 16 bytes long.
 Data: <0.&#158;"&#230;           > 30 2E 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6229E7990, 16 bytes long.
 Data: < .&#158;"&#230;           > 08 2E 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6229E82F0, 16 bytes long.
 Data: <&#224;-&#158;"&#230;           > E0 2D 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6229E7A80, 16 bytes long.
 Data: <&#184;-&#158;"&#230;           > B8 2D 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6229E3BC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000001E6229E7B20, 16 bytes long.
 Data: < -&#158;"&#230;           > 90 2D 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6229E2D90, 320 bytes long.
 Data: < {&#158;"&#230;   &#192;;&#158;"&#230;   > 20 7B 9E 22 E6 01 00 00 C0 3B 9E 22 E6 01 00 00 
{288} normal block at 0x000001E6229E7E40, 16 bytes long.
 Data: <&#160;&#138;&#158;"&#230;           > A0 8A 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6229E8430, 16 bytes long.
 Data: <x&#138;&#158;"&#230;           > 78 8A 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E6229E3800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001E6229E80C0, 16 bytes long.
 Data: <P&#138;&#158;"&#230;           > 50 8A 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6229E40A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001E6229E8700, 16 bytes long.
 Data: < &#137;&#158;"&#230;           > 98 89 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6229E82A0, 16 bytes long.
 Data: <p&#137;&#158;"&#230;           > 70 89 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6229E7A30, 16 bytes long.
 Data: <H&#137;&#158;"&#230;           > 48 89 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6229E8610, 16 bytes long.
 Data: < &#137;&#158;"&#230;           > 20 89 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6229E87F0, 16 bytes long.
 Data: <&#248; &#158;"&#230;           > F8 88 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E6229E8250, 16 bytes long.
 Data: <&#208; &#158;"&#230;           > D0 88 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6229E8390, 16 bytes long.
 Data: <0s&#158;"&#230;           > 30 73 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6229E7330, 40 bytes long.
 Data: < &#131;&#158;"&#230;   p&#246;l$&#230;   > 90 83 9E 22 E6 01 00 00 70 F6 6C 24 E6 01 00 00 
{274} normal block at 0x000001E6229E8200, 16 bytes long.
 Data: <&#176; &#158;"&#230;           > B0 88 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E6229E87A0, 16 bytes long.
 Data: <  &#158;"&#230;           > 88 88 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6229E4040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001E6229E81B0, 16 bytes long.
 Data: <` &#158;"&#230;           > 60 88 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6229E8860, 992 bytes long.
 Data: <&#176; &#158;"&#230;   @@&#158;"&#230;   > B0 81 9E 22 E6 01 00 00 40 40 9E 22 E6 01 00 00 
{106} normal block at 0x000001E6229E3500, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001E6229DC960, 16 bytes long.
 Data: < w&#158;"&#230;           > 90 77 9E 22 E6 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001E6229E7790, 40 bytes long.
 Data: <`&#201; "&#230;    5&#158;"&#230;   > 60 C9 9D 22 E6 01 00 00 00 35 9E 22 E6 01 00 00 
{83} normal block at 0x000001E6229DC320, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E6229DC7D0, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E6229DBF60, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E6229DC690, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E6229DC5A0, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E6229DCB90, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E6229DCAF0, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E6229DC0F0, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001E6229DC730, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E6229DBEC0, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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