Task 38663117

Name test_1369-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND7400_1
Workunit 31606309
Created 24 Oct 2026, 21:21:34 UTC
Sent 24 Oct 2026, 21:21:38 UTC
Report deadline 29 Oct 2026, 21:21:38 UTC
Received 25 Oct 2026, 1:05:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 54 min 28 sec
CPU time 54 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.33 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:41:25 (1448): wrapper (7.9.26016): starting
16:41:25 (1448): 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
16:41:27 (1448): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:27 (1448): 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
17:31:43 (1448): C:/Windows/system32/cmd.exe exited; CPU time 3268.671875
17:31:43 (1448): 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: 50345691 bytes.
Dumping objects ->
{3835233} normal block at 0x0000017B1F1D1480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000017B1F1D08B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000017B1F1D12C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000017B1F1D1250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000017B1F1D0BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000017B1F2C33A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000017B1F2DD0D0, 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) : {3835144} normal block at 0x0000017B1D4E7FD0, 8 bytes long.
 Data: <  F {   > 00 00 46 1D 7B 01 00 00 
{3834540} normal block at 0x0000017B1F2DCD60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000017B1D4E7990, 8 bytes long.
 Data: < &#234;  {   > 00 EA 1D 1F 7B 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000017B1D4D5F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017B1D4DB850, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000017B1D4F2BA0, 16 bytes long.
 Data: < MO {           > 98 4D 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017B1D4F3000, 16 bytes long.
 Data: <pMO {           > 70 4D 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017B1D4ECFC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000017B1D4F2B00, 16 bytes long.
 Data: <HMO {           > 48 4D 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017B1D4F2AB0, 16 bytes long.
 Data: < MO {           > 20 4D 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017B1D4F2A60, 16 bytes long.
 Data: <&#248;LO {           > F8 4C 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017B1D4F2A10, 16 bytes long.
 Data: <&#208;LO {           > D0 4C 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017B1D4EE490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000017B1D4F2FB0, 16 bytes long.
 Data: <h&#207;M {           > 68 CF 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017B1D4EC7E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000017B1D4F2880, 16 bytes long.
 Data: <@&#207;M {           > 40 CF 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017B1D4F2830, 16 bytes long.
 Data: < &#207;M {           > 18 CF 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017B1D4F2740, 16 bytes long.
 Data: <&#240;&#206;M {           > F0 CE 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017B1D4F26A0, 16 bytes long.
 Data: <&#200;&#206;M {           > C8 CE 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017B1D4F2F60, 16 bytes long.
 Data: <&#160;&#206;M {           > A0 CE 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017B1D4F2E20, 16 bytes long.
 Data: <x&#206;M {           > 78 CE 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017B1D4EC660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000017B1D4F33C0, 16 bytes long.
 Data: <P&#206;M {           > 50 CE 4D 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017B1D4DCE50, 320 bytes long.
 Data: <&#192;3O {   `&#198;N {   > C0 33 4F 1D 7B 01 00 00 60 C6 4E 1D 7B 01 00 00 
{275} normal block at 0x0000017B1D4F2D80, 16 bytes long.
 Data: <&#176;LO {           > B0 4C 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017B1D4F30F0, 16 bytes long.
 Data: < LO {           > 88 4C 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017B1D4ECC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000017B1D4F35A0, 16 bytes long.
 Data: <`LO {           > 60 4C 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017B1D4EC780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000017B1D4F2D30, 16 bytes long.
 Data: <&#168;KO {           > A8 4B 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017B1D4F27E0, 16 bytes long.
 Data: < KO {           > 80 4B 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017B1D4F2E70, 16 bytes long.
 Data: <XKO {           > 58 4B 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017B1D4F2CE0, 16 bytes long.
 Data: <0KO {           > 30 4B 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017B1D4F2B50, 16 bytes long.
 Data: < KO {           > 08 4B 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017B1D4F2970, 16 bytes long.
 Data: <&#224;JO {           > E0 4A 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017B1D4F3550, 16 bytes long.
 Data: < &#225;N {           > 10 E1 4E 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017B1D4EE110, 40 bytes long.
 Data: <P5O {   &#160;3, {   > 50 35 4F 1D 7B 01 00 00 A0 33 2C 1F 7B 01 00 00 
{261} normal block at 0x0000017B1D4F2C90, 16 bytes long.
 Data: <&#192;JO {           > C0 4A 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017B1D4F2EC0, 16 bytes long.
 Data: < JO {           > 98 4A 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017B1D4ECB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000017B1D4F2920, 16 bytes long.
 Data: <pJO {           > 70 4A 4F 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017B1D4F4A70, 992 bytes long.
 Data: < )O {   @&#203;N {   > 20 29 4F 1D 7B 01 00 00 40 CB 4E 1D 7B 01 00 00 
{93} normal block at 0x0000017B1D4ECBA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000017B1D4E7B70, 16 bytes long.
 Data: <&#224;&#229;N {           > E0 E5 4E 1D 7B 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000017B1D4EE5E0, 40 bytes long.
 Data: <p{N {   &#160;&#203;N {   > 70 7B 4E 1D 7B 01 00 00 A0 CB 4E 1D 7B 01 00 00 
{70} normal block at 0x0000017B1D4E87A0, 16 bytes long.
 Data: < &#234;@&#233;&#247;           > 80 EA 40 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017B1D4E8750, 16 bytes long.
 Data: <@&#233;@&#233;&#247;           > 40 E9 40 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017B1D4E78F0, 16 bytes long.
 Data: <&#248;W=&#233;&#247;           > F8 57 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017B1D4E7D50, 16 bytes long.
 Data: <&#216;W=&#233;&#247;           > D8 57 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017B1D4E8700, 16 bytes long.
 Data: <P =&#233;&#247;           > 50 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017B1D4E7BC0, 16 bytes long.
 Data: <0 =&#233;&#247;           > 30 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017B1D4E7F80, 16 bytes long.
 Data: <&#224; =&#233;&#247;           > E0 02 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017B1D4E86B0, 16 bytes long.
 Data: <  =&#233;&#247;           > 10 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017B1D4E8610, 16 bytes long.
 Data: <p =&#233;&#247;           > 70 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017B1D4E85C0, 16 bytes long.
 Data: < &#192;;&#233;&#247;           > 18 C0 3B E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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