Task 38689702

Name test_414-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0826_0
Workunit 31630935
Created 28 Oct 2026, 22:58:21 UTC
Sent 28 Oct 2026, 22:58:26 UTC
Report deadline 2 Nov 2026, 22:58:26 UTC
Received 28 Oct 2026, 23:50:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 35 min 8 sec
CPU time 20 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.13 MB
Peak swap size 13.14 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:15:33 (11024): wrapper (7.9.26016): starting
16:15:33 (11024): 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
16:15:34 (11024): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:15:34 (11024): 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\16\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\16\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
16:49:43 (11024): C:/Windows/system32/cmd.exe exited; CPU time 1243.343750
16:49:43 (11024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26199865 bytes.
Dumping objects ->
{3835240} normal block at 0x00000281F8DB4D00, 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 0x00000281F8DB4C90, 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 0x00000281F8DB4BB0, 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 0x00000281F8DB4B40, 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 0x00000281F8DB49F0, 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 0x00000281FABA7700, 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 0x00000281FAAD0F10, 155 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 0x00000281F8DAF2E0, 8 bytes long.
 Data: <  (&#249;    > 00 00 28 F9 81 02 00 00 
{3834548} normal block at 0x00000281FAAD0570, 155 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 0x00000281F8DAF100, 8 bytes long.
 Data: <&#176;&#227;&#171;&#250;    > B0 E3 AB FA 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000281F8DB13F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000281F8DA6790, 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 0x00000281F8DB5720, 16 bytes long.
 Data: <&#184;i&#219;&#248;            > B8 69 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000281F8DB65D0, 16 bytes long.
 Data: < i&#219;&#248;            > 90 69 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000281F8DB0640, 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 0x00000281F8DB6490, 16 bytes long.
 Data: <hi&#219;&#248;            > 68 69 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000281F8DB6350, 16 bytes long.
 Data: <@i&#219;&#248;            > 40 69 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000281F8DB56D0, 16 bytes long.
 Data: < i&#219;&#248;            > 18 69 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000281F8DB6300, 16 bytes long.
 Data: <&#240;h&#219;&#248;            > F0 68 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000281F8DB4E50, 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 0x00000281F8DB64E0, 16 bytes long.
 Data: <&#248;&#181;&#217;&#248;            > F8 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000281F8DB0820, 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 0x00000281F8DB5E50, 16 bytes long.
 Data: <&#208;&#181;&#217;&#248;            > D0 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000281F8DB5FE0, 16 bytes long.
 Data: <&#168;&#181;&#217;&#248;            > A8 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000281F8DB6440, 16 bytes long.
 Data: < &#181;&#217;&#248;            > 80 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000281F8DB60D0, 16 bytes long.
 Data: <X&#181;&#217;&#248;            > 58 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000281F8DB59A0, 16 bytes long.
 Data: <0&#181;&#217;&#248;            > 30 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000281F8DB6080, 16 bytes long.
 Data: < &#181;&#217;&#248;            > 08 B5 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000281F8DAFF80, 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 0x00000281F8DB6030, 16 bytes long.
 Data: <&#224;&#180;&#217;&#248;            > E0 B4 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000281F8D9B4E0, 320 bytes long.
 Data: <0`&#219;&#248;     &#255;&#218;&#248;    > 30 60 DB F8 81 02 00 00 80 FF DA F8 81 02 00 00 
{274} normal block at 0x00000281F8DB58B0, 16 bytes long.
 Data: <&#208;h&#219;&#248;            > D0 68 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000281F8DB62B0, 16 bytes long.
 Data: <&#168;h&#219;&#248;            > A8 68 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000281F8DB04C0, 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 0x00000281F8DB6260, 16 bytes long.
 Data: < h&#219;&#248;            > 80 68 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000281F8DAFF20, 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 0x00000281F8DB5C20, 16 bytes long.
 Data: <&#200;g&#219;&#248;            > C8 67 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000281F8DB6210, 16 bytes long.
 Data: <&#160;g&#219;&#248;            > A0 67 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000281F8DB5860, 16 bytes long.
 Data: <xg&#219;&#248;            > 78 67 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000281F8DB6530, 16 bytes long.
 Data: <Pg&#219;&#248;            > 50 67 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000281F8DB6580, 16 bytes long.
 Data: <(g&#219;&#248;            > 28 67 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000281F8DB63F0, 16 bytes long.
 Data: < g&#219;&#248;            > 00 67 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000281F8DB6620, 16 bytes long.
 Data: <0O&#219;&#248;            > 30 4F DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000281F8DB4F30, 40 bytes long.
 Data: < f&#219;&#248;     w&#186;&#250;    > 20 66 DB F8 81 02 00 00 00 77 BA FA 81 02 00 00 
{260} normal block at 0x00000281F8DB6170, 16 bytes long.
 Data: <&#224;f&#219;&#248;            > E0 66 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000281F8DB5770, 16 bytes long.
 Data: <&#184;f&#219;&#248;            > B8 66 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000281F8DAFC80, 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 0x00000281F8DB61C0, 16 bytes long.
 Data: < f&#219;&#248;            > 90 66 DB F8 81 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000281F8DB6690, 992 bytes long.
 Data: <&#192;a&#219;&#248;     &#252;&#218;&#248;    > C0 61 DB F8 81 02 00 00 80 FC DA F8 81 02 00 00 
{92} normal block at 0x00000281F8DAFD40, 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 0x00000281F8DAF060, 16 bytes long.
 Data: <&#192;&#199;&#217;&#248;            > C0 C7 D9 F8 81 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000281F8D9C7C0, 40 bytes long.
 Data: <`&#240;&#218;&#248;    @&#253;&#218;&#248;    > 60 F0 DA F8 81 02 00 00 40 FD DA F8 81 02 00 00 
{69} normal block at 0x00000281F8DAE9D0, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000281F8DAEB60, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000281F8DAF920, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000281F8DAF380, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000281F8DAECA0, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000281F8DAF560, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000281F8DAF420, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000281F8DAF010, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000281F8DAED40, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000281F8DAF0B0, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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