Task 38684530

Name test_541-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8000_0
Workunit 31626041
Created 27 Oct 2026, 16:49:55 UTC
Sent 27 Oct 2026, 16:49:57 UTC
Report deadline 1 Nov 2026, 16:49:57 UTC
Received 27 Oct 2026, 17:21:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627872
Run time 21 min 30 sec
CPU time 19 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.45 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:00:40 (28544): wrapper (7.9.26016): starting
18:00:40 (28544): 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
18:00:41 (28544): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:00:41 (28544): 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
18:21:22 (28544): C:/Windows/system32/cmd.exe exited; CPU time 1187.734375
18:21:22 (28544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27337997 bytes.
Dumping objects ->
{3835263} normal block at 0x000001F1F594B4D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000001F1F594AF90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000001F1F594B930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x000001F1F3DB3220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001F1F3DB31B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x000001F1F58EB480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000001F1F3DD9000, 180 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) : {3835174} normal block at 0x000001F1F3DAE2A0, 8 bytes long.
 Data: <   &#244;&#241;   > 00 00 0E F4 F1 01 00 00 
{3834566} normal block at 0x000001F1F3DD95A0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001F1F3DAE0C0, 8 bytes long.
 Data: <0&#159;&#148;&#245;&#241;   > 30 9F 94 F5 F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F1F3DA60B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F1F3DA7520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001F1F3DB3DA0, 16 bytes long.
 Data: < J&#219;&#243;&#241;           > 88 4A DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F1F3DB3F80, 16 bytes long.
 Data: <`J&#219;&#243;&#241;           > 60 4A DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F1F3DAF390, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001F1F3DB41B0, 16 bytes long.
 Data: <8J&#219;&#243;&#241;           > 38 4A DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1F3DB3710, 16 bytes long.
 Data: < J&#219;&#243;&#241;           > 10 4A DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F1F3DB38F0, 16 bytes long.
 Data: <&#232;I&#219;&#243;&#241;           > E8 49 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F1F3DB3530, 16 bytes long.
 Data: <&#192;I&#219;&#243;&#241;           > C0 49 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F1F3DB2B90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001F1F3DB3670, 16 bytes long.
 Data: < &#164;&#218;&#243;&#241;           > 18 A4 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1F3DAFA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001F1F3DB3990, 16 bytes long.
 Data: <&#240;&#163;&#218;&#243;&#241;           > F0 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F1F3DB3580, 16 bytes long.
 Data: <&#200;&#163;&#218;&#243;&#241;           > C8 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F1F3DB3440, 16 bytes long.
 Data: <&#160;&#163;&#218;&#243;&#241;           > A0 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1F3DB3C10, 16 bytes long.
 Data: <x&#163;&#218;&#243;&#241;           > 78 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F1F3DB4110, 16 bytes long.
 Data: <P&#163;&#218;&#243;&#241;           > 50 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1F3DB33A0, 16 bytes long.
 Data: <(&#163;&#218;&#243;&#241;           > 28 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F1F3DAF9F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001F1F3DB3AD0, 16 bytes long.
 Data: < &#163;&#218;&#243;&#241;           > 00 A3 DA F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F1F3DAA300, 320 bytes long.
 Data: <&#208;:&#219;&#243;&#241;   &#240;&#249;&#218;&#243;&#241;   > D0 3A DB F3 F1 01 00 00 F0 F9 DA F3 F1 01 00 00 
{277} normal block at 0x000001F1F3DB36C0, 16 bytes long.
 Data: <&#160;I&#219;&#243;&#241;           > A0 49 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F1F3DB3490, 16 bytes long.
 Data: <xI&#219;&#243;&#241;           > 78 49 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F1F3DAF930, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001F1F3DB3A30, 16 bytes long.
 Data: <PI&#219;&#243;&#241;           > 50 49 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F1F3DAF4B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001F1F3DB3E40, 16 bytes long.
 Data: < H&#219;&#243;&#241;           > 98 48 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F1F3DB3D00, 16 bytes long.
 Data: <pH&#219;&#243;&#241;           > 70 48 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F1F3DB3E90, 16 bytes long.
 Data: <HH&#219;&#243;&#241;           > 48 48 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F1F3DB42A0, 16 bytes long.
 Data: < H&#219;&#243;&#241;           > 20 48 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1F3DB3B70, 16 bytes long.
 Data: <&#248;G&#219;&#243;&#241;           > F8 47 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F1F3DB4020, 16 bytes long.
 Data: <&#208;G&#219;&#243;&#241;           > D0 47 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F1F3DB3C60, 16 bytes long.
 Data: < 2&#219;&#243;&#241;           > 90 32 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F1F3DB3290, 40 bytes long.
 Data: <`<&#219;&#243;&#241;    &#180;&#142;&#245;&#241;   > 60 3C DB F3 F1 01 00 00 80 B4 8E F5 F1 01 00 00 
{263} normal block at 0x000001F1F3DB3B20, 16 bytes long.
 Data: <&#176;G&#219;&#243;&#241;           > B0 47 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1F3DB3BC0, 16 bytes long.
 Data: < G&#219;&#243;&#241;           > 88 47 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F1F3DAEEB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001F1F3DB34E0, 16 bytes long.
 Data: <`G&#219;&#243;&#241;           > 60 47 DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F1F3DB4760, 992 bytes long.
 Data: <&#224;4&#219;&#243;&#241;   &#176;&#238;&#218;&#243;&#241;   > E0 34 DB F3 F1 01 00 00 B0 EE DA F3 F1 01 00 00 
{95} normal block at 0x000001F1F3DAFB70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001F1F3DAE8E0, 16 bytes long.
 Data: <P-&#219;&#243;&#241;           > 50 2D DB F3 F1 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F1F3DB2D50, 40 bytes long.
 Data: <&#224;&#232;&#218;&#243;&#241;   p&#251;&#218;&#243;&#241;   > E0 E8 DA F3 F1 01 00 00 70 FB DA F3 F1 01 00 00 
{72} normal block at 0x000001F1F3DADDF0, 16 bytes long.
 Data: < &#234;&#200;&#210;&#247;           > 80 EA C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F1F3DADCB0, 16 bytes long.
 Data: <@&#233;&#200;&#210;&#247;           > 40 E9 C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F1F3DAEAC0, 16 bytes long.
 Data: <&#248;W&#197;&#210;&#247;           > F8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F1F3DAEA70, 16 bytes long.
 Data: <&#216;W&#197;&#210;&#247;           > D8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F1F3DAE070, 16 bytes long.
 Data: <P &#197;&#210;&#247;           > 50 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F1F3DAE020, 16 bytes long.
 Data: <0 &#197;&#210;&#247;           > 30 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F1F3DAE160, 16 bytes long.
 Data: <&#224; &#197;&#210;&#247;           > E0 02 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F1F3DADF80, 16 bytes long.
 Data: <  &#197;&#210;&#247;           > 10 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1F3DAEA20, 16 bytes long.
 Data: <p &#197;&#210;&#247;           > 70 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F1F3DADE40, 16 bytes long.
 Data: < &#192;&#195;&#210;&#247;           > 18 C0 C3 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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