Task 38685351

Name test_893-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4134_0
Workunit 31626821
Created 27 Oct 2026, 20:38:08 UTC
Sent 27 Oct 2026, 20:38:13 UTC
Report deadline 1 Nov 2026, 20:38:13 UTC
Received 28 Oct 2026, 13:09:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 1 hours 14 min 26 sec
CPU time 37 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.96 MB
Peak swap size 2.36 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:18:57 (5200): wrapper (7.9.26016): starting
01:18:57 (5200): 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
01:19:00 (5200): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:19:00 (5200): 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.
13:40:13 (11780): wrapper (7.9.26016): starting
13:40:13 (11780): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\Boinc\slots\0\tmp.
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
14:08:51 (11780): C:/Windows/system32/cmd.exe exited; CPU time 861.312500
14:08:51 (11780): 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: 17846272 bytes.
Dumping objects ->
{1616} normal block at 0x00000172AF305D80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1605} normal block at 0x00000172AF305C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1594} normal block at 0x00000172AF305F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1583} normal block at 0x00000172AF305E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1572} normal block at 0x00000172AF306020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1541} normal block at 0x00000172AF2ED090, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1530} normal block at 0x00000172AF3059E0, 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) : {1527} normal block at 0x00000172AF306D00, 8 bytes long.
 Data: <    r   > 00 00 C6 B0 72 01 00 00 
{907} normal block at 0x00000172AF2E8B70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{302} normal block at 0x00000172AF306BC0, 8 bytes long.
 Data: < y0 r   > B0 79 30 AF 72 01 00 00 
{293} normal block at 0x00000172AF2F6CE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000172AF306FD0, 16 bytes long.
 Data: < x0 r           > B8 78 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000172AF3066C0, 16 bytes long.
 Data: < x0 r           > 90 78 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000172AF300680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000172AF307200, 16 bytes long.
 Data: <hx0 r           > 68 78 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000172AF306B70, 16 bytes long.
 Data: <@x0 r           > 40 78 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000172AF306990, 16 bytes long.
 Data: < x0 r           > 18 78 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000172AF306670, 16 bytes long.
 Data: < w0 r           > F0 77 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000172AF305ED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000172AF306AD0, 16 bytes long.
 Data: <xY0 r           > 78 59 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000172AF300E60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000172AF306DA0, 16 bytes long.
 Data: <PY0 r           > 50 59 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000172AF306F80, 16 bytes long.
 Data: <(Y0 r           > 28 59 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000172AF3065D0, 16 bytes long.
 Data: < Y0 r           > 00 59 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000172AF306D50, 16 bytes long.
 Data: < X0 r           > D8 58 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000172AF306F30, 16 bytes long.
 Data: < X0 r           > B0 58 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000172AF306CB0, 16 bytes long.
 Data: < X0 r           > 88 58 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000172AF300980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000172AF3073E0, 16 bytes long.
 Data: <`X0 r           > 60 58 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000172AF305860, 320 bytes long.
 Data: < s0 r     0 r   > E0 73 30 AF 72 01 00 00 80 09 30 AF 72 01 00 00 
{272} normal block at 0x00000172AF307160, 16 bytes long.
 Data: < w0 r           > D0 77 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000172AF307390, 16 bytes long.
 Data: < w0 r           > A8 77 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000172AF301040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000172AF306B20, 16 bytes long.
 Data: < w0 r           > 80 77 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000172AF300D40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000172AF306EE0, 16 bytes long.
 Data: < v0 r           > C8 76 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000172AF306620, 16 bytes long.
 Data: < v0 r           > A0 76 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000172AF306760, 16 bytes long.
 Data: <xv0 r           > 78 76 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000172AF306DF0, 16 bytes long.
 Data: <Pv0 r           > 50 76 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000172AF306E90, 16 bytes long.
 Data: <(v0 r           > 28 76 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000172AF3071B0, 16 bytes long.
 Data: < v0 r           > 00 76 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000172AF307430, 16 bytes long.
 Data: < [0 r           > C0 5B 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000172AF305BC0, 40 bytes long.
 Data: <0t0 r     . r   > 30 74 30 AF 72 01 00 00 90 D0 2E AF 72 01 00 00 
{258} normal block at 0x00000172AF307110, 16 bytes long.
 Data: < u0 r           > E0 75 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000172AF3069E0, 16 bytes long.
 Data: < u0 r           > B8 75 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000172AF300740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000172AF307520, 16 bytes long.
 Data: < u0 r           > 90 75 30 AF 72 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000172AF307590, 992 bytes long.
 Data: < u0 r   @ 0 r   > 20 75 30 AF 72 01 00 00 40 07 30 AF 72 01 00 00 
{90} normal block at 0x00000172AF300C20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000172AF2FF620, 16 bytes long.
 Data: <  . r           > 20 D0 2E AF 72 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000172AF2ED020, 40 bytes long.
 Data: <  / r     0 r   > 20 F6 2F AF 72 01 00 00 20 0C 30 AF 72 01 00 00 
{67} normal block at 0x00000172AF2FF710, 16 bytes long.
 Data: <  5             > 80 EA 35 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000172AF2FFA30, 16 bytes long.
 Data: <@ 5             > 40 E9 35 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000172AF2FF4E0, 16 bytes long.
 Data: < W2             > F8 57 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000172AF2FF580, 16 bytes long.
 Data: < W2             > D8 57 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000172AF300110, 16 bytes long.
 Data: <P 2             > 50 04 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000172AF2FF8F0, 16 bytes long.
 Data: <0 2             > 30 04 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000172AF2FFF80, 16 bytes long.
 Data: <  2             > E0 02 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000172AF2FFC60, 16 bytes long.
 Data: <  2             > 10 04 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000172AF2FFAD0, 16 bytes long.
 Data: <p 2             > 70 04 32 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000172AF2FFB20, 16 bytes long.
 Data: <  0             > 18 C0 30 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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