Task 38683726

Name test_364-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4325_1
Workunit 31625206
Created 27 Oct 2026, 13:01:49 UTC
Sent 27 Oct 2026, 13:01:56 UTC
Report deadline 1 Nov 2026, 13:01:56 UTC
Received 27 Oct 2026, 14:17:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 1 hours 13 min 10 sec
CPU time 1 hours 8 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.46 MB
Peak swap size 5.31 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:06:30 (4952): wrapper (7.9.26016): starting
07:06:30 (4952): 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
07:06:33 (4952): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:06:33 (4952): 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\7\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\7\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
08:16:46 (4952): C:/Windows/system32/cmd.exe exited; CPU time 4106.984375
08:16:46 (4952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 48490903 bytes.
Dumping objects ->
{3835249} normal block at 0x00000290FA4C96E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000290FA4CA160, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000290FA4C9EC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x00000290FA4C99F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000290FA4C97C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x00000290FA3BBB40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000290F87E21D0, 235 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) : {3835160} normal block at 0x00000290F87D6920, 8 bytes long.
 Data: <  x&#248;    > 00 00 78 F8 90 02 00 00 
{3834553} normal block at 0x00000290F87E2430, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000290F87D70F0, 8 bytes long.
 Data: <  J&#250;    > 00 88 4A FA 90 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000290F87DFDC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000290F87C5AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000290F87E1300, 16 bytes long.
 Data: <&#200;2~&#248;            > C8 32 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000290F87E0E00, 16 bytes long.
 Data: <&#160;2~&#248;            > A0 32 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000290F87DC7B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000290F87E12B0, 16 bytes long.
 Data: <x2~&#248;            > 78 32 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000290F87E0D60, 16 bytes long.
 Data: <P2~&#248;            > 50 32 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000290F87E0D10, 16 bytes long.
 Data: <(2~&#248;            > 28 32 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000290F87E0BD0, 16 bytes long.
 Data: < 2~&#248;            > 00 32 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000290F87DAFA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000290F87E0C70, 16 bytes long.
 Data: < Z|&#248;            > 88 5A 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000290F87DD050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000290F87E1B20, 16 bytes long.
 Data: <`Z|&#248;            > 60 5A 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000290F87E1A80, 16 bytes long.
 Data: <8Z|&#248;            > 38 5A 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000290F87E19E0, 16 bytes long.
 Data: < Z|&#248;            > 10 5A 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000290F87E1990, 16 bytes long.
 Data: <&#232;Y|&#248;            > E8 59 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000290F87E1A30, 16 bytes long.
 Data: <&#192;Y|&#248;            > C0 59 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000290F87E1850, 16 bytes long.
 Data: < Y|&#248;            > 98 59 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000290F87DC750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000290F87E16C0, 16 bytes long.
 Data: <pY|&#248;            > 70 59 7C F8 90 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000290F87C5970, 320 bytes long.
 Data: <&#192; ~&#248;    P&#199;}&#248;    > C0 16 7E F8 90 02 00 00 50 C7 7D F8 90 02 00 00 
{267} normal block at 0x00000290F87E1210, 16 bytes long.
 Data: <&#224;1~&#248;            > E0 31 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000290F87E1620, 16 bytes long.
 Data: <&#184;1~&#248;            > B8 31 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000290F87DC6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000290F87E15D0, 16 bytes long.
 Data: < 1~&#248;            > 90 31 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000290F87DCF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000290F87E11C0, 16 bytes long.
 Data: <&#216;0~&#248;            > D8 30 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000290F87E1030, 16 bytes long.
 Data: <&#176;0~&#248;            > B0 30 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000290F87E1260, 16 bytes long.
 Data: < 0~&#248;            > 88 30 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000290F87E0FE0, 16 bytes long.
 Data: <`0~&#248;            > 60 30 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000290F87E1AD0, 16 bytes long.
 Data: <80~&#248;            > 38 30 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000290F87E1580, 16 bytes long.
 Data: < 0~&#248;            > 10 30 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000290F87E0F90, 16 bytes long.
 Data: <`&#177;}&#248;            > 60 B1 7D F8 90 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000290F87DB160, 40 bytes long.
 Data: <  ~&#248;    @&#187;;&#250;    > 90 0F 7E F8 90 02 00 00 40 BB 3B FA 90 02 00 00 
{253} normal block at 0x00000290F87E0C20, 16 bytes long.
 Data: <&#240;/~&#248;            > F0 2F 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000290F87E1170, 16 bytes long.
 Data: <&#200;/~&#248;            > C8 2F 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000290F87DC5D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000290F87E0DB0, 16 bytes long.
 Data: <&#160;/~&#248;            > A0 2F 7E F8 90 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000290F87E2FA0, 992 bytes long.
 Data: <&#176; ~&#248;    &#208;&#197;}&#248;    > B0 0D 7E F8 90 02 00 00 D0 C5 7D F8 90 02 00 00 
{85} normal block at 0x00000290F87DC8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000290F87D68D0, 16 bytes long.
 Data: <p&#180;}&#248;            > 70 B4 7D F8 90 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000290F87DB470, 40 bytes long.
 Data: <&#208;h}&#248;    &#208;&#200;}&#248;    > D0 68 7D F8 90 02 00 00 D0 C8 7D F8 90 02 00 00 
{62} normal block at 0x00000290F87D64C0, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000290F87D6E20, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000290F87D6B00, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000290F87D6FB0, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000290F87D66A0, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000290F87D6790, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000290F87D7000, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000290F87D6C90, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000290F87D67E0, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000290F87D6EC0, 16 bytes long.
 Data: < &#192;!&#243;&#247;           > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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